############################################################################### ##此CIF包含接受的数据项目的数据##在IUCrData上发布。它符合##IUCrData作者注释##由IUCrData主持的同行评审## ##结晶信息文件格式的完整详细信息##论文“结晶信息文件（CIF）：##《新的晶体学标准档案》，作者S.R.Hall，F.H##艾伦和I.D.布朗【《水晶学报》（1991），A47655-685】## ##核心CIF字典的当前版本可从## ftp://ftp.iucr.org/pub/cif_core.dic。 ## ##软件可免费用于结构的图形显示##CIF价格。有关信息，请参阅CIF软件页面## http://www.iucr.org/resources/cif/software。 ## ##此文件可用于##科学界，只要对数据给予适当的归属#从中获得它的物品## ###############################################################################数据_全局_审计_创建_方法'白金选项'_日志日期电子2017-07-24_日记_日期_接受日期2017-08-01_journal_name_full“IUCrData”_2017年日志_日志卷2_期刊_第9期_日志_页面_第一个0_日志_页面_最后0_日志_纸张_类别HO_日志_paper_doi 10.1107/S2414314617011324_日志_编辑_代码HG9020_publ_contact_author_name“Velusamy Sethuraman”_公共联系人作者地址;佩里亚尔·马尼阿迈伊大学，Thanjavur塔纳贾武613 403，泰米尔纳德邦，印度;_发布_联系人_作者_邮件lvsethu13@gmail.com_publ_contact_author_fax“04362 264600”_publ_contact_author_phone'04362 264660'_公共部分标题;3-（4-氯丁基）-3H（H）-吲哚-5-碳腈。勘误表;_publ_section_title_footnote。回路__publ_author_name（发布_作者名称）_公共_作者_脚注_公共_作者_地址“Manikandan，Devakumar”。;化学系佩里亚尔·马尼阿迈伊大学，Thanjavur塔纳贾武613 403，泰米尔纳德邦，印度;“戈马蒂，桑达拉穆斯”。;化学系佩里亚尔·马尼阿迈伊大学，Thanjavur塔纳贾武613 403，泰米尔纳德邦，印度;“Nirmalram，Jeyaraman Selvaraj”。;研究与发展中心PRIST大学Thanjavur塔纳贾武613 403，泰米尔纳德邦，印度;“泰戈尔，萨达西瓦姆·沙米拉”。;化学系佩里亚尔·马尼阿迈伊大学，Thanjavur塔纳贾武613 403，泰米尔纳德邦，印度;“Sethuraman，Velusamy”。;化学系佩里亚尔·马尼阿迈伊大学，Thanjavur塔纳贾武613 403，泰米尔纳德邦，印度;“阿金，约瑟夫”。;无机与结构化学，霍华德大学，华盛顿直流20059美国;“屠夫，雷”。;无机与结构化学霍华德大学，华盛顿直流20059美国;_公共_部分_摘要;马尼坎丹语勘误表等人。(2017). IUCrData，2，x170376。;数据仓库_化学名称系统;3-（4-氯丁基）-1H（H）-吲哚-5-碳腈;_化学名称通用？_化学配方成分‘C13 H13 Cl N2’_化学公式_总和‘C13 H13 Cl N2’_化学配方结构？_化学公式‘C13 H13 Cl N2’_化学配方重量232.70_化学熔点？_对称细胞集单斜_symmetry_space_group_name_H-M“P 21/c”_symmetry_space_group_name_Holl'-P 2ybc'回路__空间组符号id_空间组符号操作1 x，y，z2-x，1/2+y，1/2-z3-x、-y、-z4 x，1/2-y，1/2+z_单元格长度a 8.870（2）_单元格长度_b 9.271（2）_单元格长度c 14.498（3）_单元格角度α90_cell_angle_beta 100.236（4）_单元格角度伽马90_单元格_卷1173.3（4）_单元格_公式_单位_Z 4_1952年使用的单元格_测量_reflns_单元格_测量值_最小值2.60_单元格_测量_高度_最大值24.60_单元格_测量_温度100_单元格_特殊_详细信息;;_exptl_crystal_description“方块”_exptl_crystal_color“无色”_exptl晶体尺寸最大0.180_exptl_晶体_尺寸_内径0.170_exptl晶体尺寸最小0.150_exptl_crystal_size_rad？_exptl_晶体_密度_差异1.317_exptl晶体密度测量？_exptl_crystal_density_method“未测量”_exptl_晶体_F_000 488_exptl_吸收_效率_mu 0.298_exptl_absorpt_correction_type多扫描_exptl_absorpt_process_details（导出吸收过程详细信息）;（SADABS；谢尔德里克，2008）;_exptl_absorpt_correction_T_最小值0.618_exptl_吸收_修正_最大0.745_exptl特殊详细信息;;_衍射环境温度100_diffrin_radiation_type‘MoK\a’_衍射辐射波长0.71073_衍射辐射源？_衍射辐射单色仪？_diffrin_measurement_device_type“布鲁克APEXII”_diffrin_measurement_method“\w扫描”_衍射探测器面积土壤平均值18.4_衍射_反射_编号7342_diffrin_refns_av_R等效物0.0392_衍射_refns_theta_min 2.62_衍射_反射_热最大值24.62_diffrin_refns_theta完整24.62_衍射_测量_分数_热_最大值0.987_衍射_测量_分数_高度_满0.987_衍射反射极限h最小值-10_衍射反射极限h最大值10_衍射_反射_极限_k最小值-10_衍射反射极限k最大值10_衍射_反射_极限_最小值-17_衍射反射极限最大值16_衍射反射还原过程;;_细化特殊细节;对除这些反射以外的所有反射的F^2^进行细化由用户标记潜在的系统错误。加权R系数wR和所有拟合优度S基于F^2^，传统R系数R基于在F上，对于负F^2^，F设置为零。这个仅使用了F^2^>2sigma（F^2）的观测标准用于计算-R因子等，而不是与优化反射的选择有关。基于F^2^的R系数在统计上约为两倍与基于F和基于R的系数一样大所有数据将更大。;_refns_number_total 1952年_参考号gt 1632_refns_threshold_expression I>2\s（I）_细分_ls_structure_factor_cef Fsqd_refine_ls_matrix_type已满_refine_ls_R_因子_全部0.0434_精制_ls_R_factor_gt 0.0343_细化_ls_wR_factor_gt 0.0915_精炼_ls_wR_factor_ref 0.0970_细化_ls_goodness_of_fit_ref 1.053_细化_限制_全部1.053_精炼_编号_编号1952_refine_ls_number_parameters细化_编号_参数149_细化_ls_number_restraints 0_细化ls_number_constraints？_refine_ls_hydrogen_treaction混合_细化_权重_方案计算_细化_权重_详细信息'w=1/[\S^2^（FO^2^）+（0.0615P）^2^+0.1055P]其中P=（FO^2 ^+2FC^2 ^）/3'_atom_sites_solution_混合氢_atom_sites_solution_primary？_atom_sites_solution_secondary？_细化_ls_shift/su_max 0.000_精细_偏移/最小0.000_精炼密度最大值0.291_细化_密度_最小-0.240_refine_ls_extinction_method“无”_细化ls_abs_structure_details？_细化_ls_abs_structure_Flack。回路__原子类型符号_原子类型描述_atom_type_scat_dispersion_real格式_原子类型分类_原子类型类别源C C 0.0033 0.0016“国际表格C卷表4.2.6.8和6.1.1.4”H H 0.0000 0.0000“国际表格C卷表4.2.6.8和6.1.1.4”Cl Cl 0.1484 0.1585“国际表格C卷表4.2.6.8和6.1.1.4”N N 0.0061 0.0033“国际表格C卷表4.2.6.8和6.1.1.4”_计算数据收集;APEX2（布鲁克，2008）;_计算单元格定义;圣特（Bruker，2008）;_计算数据还原;圣特（Bruker，2008）;_计算结构解决方案;SHELXL97（谢尔德里克，2008）;_计算结构定义;SHELXL97（谢尔德里克，2008）;_计算分子图形;普拉顿（Spek，2009），水星（Macrae）等人。2008年）和POVRay（卡森，2004）;_计算_发布_材料;普拉顿（Spek，2009）和publCIF（Westrip，2010）;回路__原子站点类型符号_原子站点标签_原子站点分形x_原子站点分形_原子_位_分形_z_原子_站点_U_iso_or_equiv_原子_站点_热_置换_类型_原子_位_calc_flag_原子站点定义标志_原子站点占用_atom_site监控程序集_原子站点监控程序组氯离子0.64036（6）0.62781（5）0.10556（3）0.0373（2）Uani d。1.000 . .N N1 0.17181（16）0.77684（15）0.56118（10）0.0202（4）Uani d。1.000 . .N N2 0.10999（16）0.07038（15）0.64000（9）0.0248（5）单位。1.000 . .C C2 0.24682（17）0.77009（16）0.48566（10）0.0193（5）Uani d。1.000 . .C C3 0.27344（17）0.62953（17）0.46452（11）0.0177（5）乌亚尼。1.000 . .C C4 0.19953（17）0.39623（17）0.54478（10）0.0160（5）乌阿尼。1.000 . .C C5 0.12918（17）0.34723（16）0.61736（10）0.0170（5）单位。1.000。C C6 0.07019（17）0.44431（16）0.67723（10）0.0180（5）单位。1.000 . .C C7 0.07908（18）0.59143（17）0.66461（11）0.0190（5）单位。1.000 . .C C8 0.14877（17）0.64002（16）0.59099（11）0.0175（5）Uani d。1.000 . .C C9 0.21099（16）0.54435（17）0.53130（10）0.0154（4）单位。1.000 . .C C10 0.11661（17）0.19387（17）0.63039（11）0.0187（5）单位。1.000 . .C C11 0.34895（17）0.56971（18）0.38827（10）0.0185（5）单位。1.000 . .C C12 0.40919（18）0.68138（17）0.32640（11）0.0200（5）单位。1.000 . .C C13 0.48445（18）0.60781（16）0.25127（10）0.0189（5）单位。1.000 . .C C14 0.54689（19）0.71647（17）0.19063（11）0.0212（5）单位。1.000 . .H H1 0.147（2）0.847（2）0.5852（15）0.033（6）Uiso d。1.000 . .H H2 0.27584 0.85143 0.45299 0.0230 Uiso c RU 1.000。H H4 0.23903 0.32991 0.50516 0.0190 Uiso c RU 1.000。H H6 0.02389 0.40786 0.72672 0.0220 Uiso c RU 1.000。H H7 0.03936 0.65728 0.70443 0.0230 Uiso c RU 1.000。H H11A 0.27441 0.50716 0.34779 0.0220 Uiso c RU 1.000。H H11B 0.43558 0.50800 0.41731 0.0220 Uiso c RU 1.000。H H12A 0.32349 0.74283 0.29573 0.0240 Uiso c RU 1.000。H H12B 0.48506 0.74413 0.36573 0.0240 Uiso c RU 1.000。H H13A 0.40795 0.54624 0.21146 0.0230 Uiso c RU 1.000。H H13B 0.56878 0.54494 0.28208 0.0230 Uiso c RU 1.000。H H14A 0.46214 0.77713 0.15787 0.0250 Uiso c RU 1.000。H H14B 0.62099 0.78019 0.23049 0.0250 Uiso c RU 1.000。回路__原子网站标签_原子_现场_日产_U_11_原子_现场_日产_U_22_原子_地点_尼索_U_33_原子_现场_日产_U_12_原子_现场_日产_U_13_原子_位置_同位素_U_23氯1 0.0598（4）0.0245（3）0.0364（3）0.0068（2）0.0329（2）0.0054（2）N1 0.0273（8）0.0099（7）0.0255（7）0.0006（6）0.0108（6）-0.0031（6）氮气0.0349（8）0.0165（8）0.0256（8）0.0013（6）0.0125（6）0.0011（6）C2 0.0227（8）0.0148（8）0.0217（8）-0.0020（6）0.0077（7）0.0029（6）C3 0.0163（8）0.0183（9）0.0191（8）-0.0002（6）0.0046（6）.0012（6）C4 0.0172（8）0.0146（8）0.0169（8）0.0019（6）0.0049（6）-0.0018（6）C5 0.0191（8）0.0136（8）00182（8）0.0003（6）0.0032（6）-0.0002（6）C6 0.0198（8）0.0184（8）00178（8）-0.0011（7）0.0085（6）0.0012（6）C7 0.0221（8）0.0156（8）0.0210（8）0.0012（7）0.0082（7）-0.0029（6）C8 0.0177（8）0.0145（9）0.0202（8）0.0007（6）0.0035（6）-0.0008（6）C9 0.0150（8）0.0155（8）0.0161（7）0.0001（6）0.0040（6）-0.0002（6）C10 0.0203（8）0.0191（9）0.0184（8）0.0019（7）0.0079（7）00000（7）C11 0.0207（9）0.0166（8）0.0194（8）0.0004（6）0.0066（7）0.0020（6）C12 0.0224（9）0.0177（8）0.0211（8）0.0006（7）0.0072（7）.0025（7）C13 0.0234（9）0.0159（8）0.0185（8）-0.0007（7）0.0066（7）.0005（6）C14 0.0278（9）0.0171（8）0.0214（8）0.0007（7）0.0114（7）-0.0001（7）_地理_特殊_详细信息;使用舍入分数坐标。所有su都是估计值（完全）方差-方差矩阵的方差。在估计距离、角度和扭转角;回路__地理绑定原子站点标签1_地理绑定原子站点标签2_地理绑定站点对称1_地理绑定站点对称2_地理绑定距离_geom_bond_publ标志第1类C14。1.8021（17）是N1 C2。1.380（2）是N1 C8。1.367（2）是氮气C10。1.156（2）是N1 H1。0.787（19）个C2 C3。1.369（2）个C3 C9。1.435（2）个C3 C11。1.497（2）否C4 C9。1.393（2）个C4 C5。1.392（2）个C5 C6。1.414（2）否C5 C10。1.441（2）个C6 C7。1.380（2）个C7 C8。1.400（2）个C8 C9。1.418（2）个C11 C12。1.527（2）个C12 C13。1.535（2）个C13 C14。1.506（2）个C2氢气。0.9500个C4 H4。0.9500个C6 H6。0.9500个C7 H7。0.9500个C11 H11A。0.9900个C11 H11B。0.9900个C12 H12A。0.9900个C12 H12B。0.9900个C13 H13A。0.9900个C13 H13B。0.9900个C14 H14A。0.9900个C14 H14B。0.9900个回路__地理角度原子站点标签1_地理角度原子站点标签2_地理角度原子站点标签3_地理角度场地对称1_地理角度场地对称2_地理角度场地对称3_地理角度_地理角度ubl标志C2 N1 C8。109.21（13）是C8 N1 H1。123.9（14）号C2 N1 H1。126.9（14）号N1 C2 C3。110.34（13）是C2 C3 C11。129.47（14）否C2 C3 C9。105.68（13）号C9 C3 C11。124.85（14）号C5 C4 C9。118.78（14）号C4 C5 C6。121.40（14）否C6 C5 C10。120.12（13）号C4 C5 C10。118.47（14）号C5 C6 C7。120.77（14）号C6 C7 C8。117.55（14）号N1 C8 C7。130.61（14）是N1 C8 C9。106.93（13）是C7 C8 C9。122.46（14）号C3 C9 C4。133.13（14）号C4 C9 C8。119.01（13）否C3 C9 C8。107.84（13）号N2 C10 C5。178.25（17）是C3 C11 C12。115.58（14）号C11 C12 C13。110.93（13）号C12 C13 C14。111.62（13）号Cl1 C14 C13。110.86（11）是N1 C2 H2。125.00个C3 C2 H2。125.00个C5 C4 H4。121.00号C9 C4 H4。121.00号C5 C6 H6。120.00个C7 C6 H6。120.00个C6 C7 H7。121.00号C8 C7 H7。121.00号C3 C11 H11A。108.00号C3 C11 H11B。108.00号C12 C11 H11A。108.00号C12 C11 H11B。108.00号H11A C11 H11B。107.00个C11 C12 H12A。109.00号C11 C12 H12B。109.00号C13 C12 H12A。109.00号C13 C12 H12B。109.00号H12A C12 H12B。108.00号C12 C13 H13A。109.00号C12 C13 H13B。109.00号C14 C13 H13A。109.00号C14 C13 H13B。109.00号H13A C13 H13B。108.00号Cl1 C14 H14A。109.00号Cl1 C14 H14B。109.00号C13 C14 H14A。109.00号C13 C14 H14B。109.00号H14A C14 H14B。108.00号回路__地理_扭转_原子_场地_标签1_地理_扭转_原子_场地_标签2_地理_扭转_原子_场地_标签3_地理_扭转_原子_场地_标签_4_地理_扭转_场地_对称_1_地理_扭转_场地_对称_2_地理扭转场地对称3_地理_扭转_场地_对称_4_地理扭转_地理_扭转_取消标记C8 N1 C2 C3。0.28（18）个C2 N1 C8 C7。179.69（16）号C2 N1 C8 C9-0.39（17）个N1 C2 C3 C9-0.05（18）否N1 C2 C3 C11。179.18（15）号C2 C3 C9 C4。178.35（16）号C2 C3 C9 C8-0.19（17）个C11 C3 C9 C4-0.9（3）个C11 C3 C9 C8-179.47（14）否C2 C3 C11 C12。1.8（2）否C9 C3 C11 C12-179.05（14）号C9 C4 C5 C6-0.2（2）个C9 C4 C5 C10。179.49（14）否C5 C4 C9 C3-179.31（16）号C5 C4 C9 C8-0.9（2）个C4 C5 C6 C7。0.8（2）个C10 C5 C6 C7-178.90（14）号C5 C6 C7 C8-0.2（2）个C6 C7 C8 N1。179.00（16）号C6 C7 C8 C9-0.9（2）个N1 C8 C9 C3。0.35（17）个N1 C8 C9 C4-178.43（14）否C7 C8 C9 C3-179.72（14）号C7 C8 C9 C4。1.5（2）个C3 C11 C12 C13。179.79（13）号C11 C12 C13 C14-179.04（13）号C12 C13 C14 Cl1。178.05（11）否回路__地理_hbond_atom_site_label_D_地理_hbond_atom_site_label_H_地理_绑定_原子_站点_标签_A_地理_邦_场地_对称_A_地理_绑定_距离_DH_地理_绑定_距离_HA_地理_绑定_距离_DA_geom_hbond_angle_DHA_geom_hbond_publ标志N1 H1 N2 1_565 0.787（19）2.263（19）3.039（2）168.7（19）是C4 H4 Cl1 2_645 0.9500 2.8000 3.7497（18）178.00是_shelx _ hkl文件;1 0 0 -0.02 0.031 0 0 -0.04 0.03-1 0 0 0.00 0.032 0 0 39.04 1.762 0 0 39.54 1.76-2 0 0 40.53 1.763 0 0 69.95 3.10-3 0 0 72.82 3.103 0 0 68.08 3.09-4 0 0 135.40 5.894 0 0 132.90 5.89-5 0 0 3.01 0.275 0 0 3.28 0.286 0 0 0.18 0.16-6 0 0 0.08 0.15-7 0 0 13.73 0.757 0 0 15.01 0.768 0 0 6.34 0.509 0 0 0.37 0.2610 0 0 1.15 0.330 1 0 -0.04 0.020 1 0 -0.02 0.030 1 0 -0.05 0.031 -1 0 12.09 0.541 1 0 11.63 0.53-1 1 0 11.97 0.551 1 0 11.68 0.531 1 0 12.18 0.54-2 -1 0 4.62 0.202 -1 0 3.86 0.24-2 1 0 3.53 0.262 1 0 3.72 0.233-1 0 96.44 4.23-3 -1 0 97.18 4.22-3 1 0 96.02 4.243 1 0 97.97 4.233 1 0 94.34 4.24-4-1 0 13.45 0.624 -1 0 13.30 0.644 1 0 12.76 0.63-4 1 0 13.11 0.66-5 -1 0 21.54 0.995 -1 0 21.02 1.015 1 0 22.18 1.01-5 1 0 21.06 1.036 -1 0 -0.08 0.15-6 -1 0 -0.01 0.13-6 1 0 -0.02 0.186 1 0 0.03 0.15-7 -1 0 0.79 0.197 -1 0 0.84 0.217 1 0 0.70 0.21-7 1 0 0.70 0.238 -1 0 18.96 0.978 1 0 19.07 0.96-8 1 0 17.76 0.989 -1 0 0.94 0.299 1 0 0.95 0.2710 -1 0 3.27 0.4010 1 0 2.43 0.360 2 0 30.44 1.361 -2 0 29.94 1.32-1 2 0 30.25 1.351 2 0 29.04 1.321 2 0 30.12 1.321 2 0 29.63 1.332 -2 0 4.69 0.27-2 2 0 5.14 0.322 2 0 4.88 0.272 2 0 4.87 0.262 2 0 4.76 0.273 -2 0 27.33 1.28-3 -2 0 30.54 1.273 2 0 27.06 1.28-3 2 0 28.68 1.314-2 0 0.14 0.124 2 0 0.06 0.11-4 2 0 0.07 0.165 -2 0 1.18 0.17-5 -2 0 1.12 0.14-5 2 0 1.06 0.225 2 0 1.37 0.17-6 -2 0 0.95 0.156 2 0 0.68 0.177 -2 0 24.22 1.16-7 2 0 23.31 1.207 2 0 24.50 1.158 -2 0 2.78 0.328 2 0 2.48 0.29-8 2 0 2.40 0.379 -2 0 -0.17 0.289 2 0 0.03 0.2510 -2 0 2.10 0.3910 2 0 3.03 0.360 3 0 -0.03 0.110 3 0 0.11 0.081 3 0 43.10 1.99-1 3 0 46.83 2.031 3 0 45.01 2.002 -3 0 6.94 0.36-2 3 0 7.08 0.422 3 0 7.05 0.362 3 0 6.41 0.363 -3 0 0.87 0.13-3 3 0 0.56 0.183 3 0 0.70 0.124 -3 0 0.29 0.134 3 0 0.10 0.13-4 3 0 0.41 0.205 -3 0 10.66 0.55-5 -3 0 8.61 0.495 3 0 11.16 0.55-5 3 0 11.61 0.636-3 0 16.53 0.836 3 0 16.20 0.83-6 3 0 16.69 0.917 -3 0 2.31 0.277 3 0 1.78 0.26-7 3 0 1.90 0.358 -3 0 0.54 0.25-8 3 0 1.01 0.358 3 0 0.64 0.249 -3 0 0.05 0.29-9 3 0 0.45 0.399 3 0 -0.07 0.250 4 0 198.55 8.711 -4 0 1.11 0.13-1 4 0 1.46 0.201 4 0 1.40 0.181 4 0 1.01 0.132 -4 0 0.69 0.142 4 0 0.64 0.13-2 4 0 0.34 0.192 4 0 0.70 0.163 -4 0 18.57 0.893 4 0 17.76 0.883 4 0 18.97 0.88-3 4 0 19.18 0.96-4 -4 0 48.60 2.124-4 0 48.85 2.15-4 4 0 47.41 2.214 4 0 45.43 2.135 -4 0 4.13 0.345 4 0 4.11 0.35-5 4 0 4.64 0.496 -4 0 8.53 0.536 4 0 8.59 0.52-6 4 0 7.75 0.667 -4 0 5.06 0.46-7 4 0 4.48 0.497 4 0 4.70 0.448-4 0 8.96 0.638 4 0 7.84 0.57-8 4 0 8.43 0.769 -4 0 1.49 0.359 4 0 1.60 0.31-9 4 0 1.81 0.450 -5 0 -0.04 0.120 5 0 -0.15 0.181 -5 0 46.60 2.03-1 5 0 45.94 2.081 5 0 44.03 2.031 5 0 44.14 2.062 -5 0 18.88 0.912 5 0 18.70 0.93-2 5 0 19.89 0.982 5 0 18.46 0.903 -5 0 8.49 0.493 5 0 8.48 0.47-3 5 0 8.42 0.593 5 0 8.71 0.504 -5 0 0.52 0.17-4 5 0 0.14 0.264 5 0 0.26 0.164 5 0 0.16 0.155 -5 0 27.96 1.35-5 -5 0 30.96 1.335 5 0 27.76 1.34-5 5 0 27.60 1.456 -5 0 22.99 1.13-6 5 0 22.85 1.246 5 0 22.34 1.117 -5 0 0.15 0.24-7 5 0 -0.22 0.377 5 0-0.03 0.238 -5 0 11.43 0.74-8 5 0 10.38 0.918 5 0 11.98 0.729 -5 0 2.90 0.41-9 5 0 2.68 0.529 5 0 3.09 0.380 -6 0 27.73 1.290 6 0 27.85 1.351 -6 0 1.43 0.181 6 0 1.55 0.26-1 6 0 1.49 0.271 6 0 1.75 0.212 -6 0 0.26 0.162 6 0 0.07 0.20-2 6 0 0.11 0.242 6 0 0.02 0.153 -6 0 1.05 0.193 6 0 0.91 0.23-3 6 0 1.07 0.303 6 0 1.00 0.194 -6 0 4.67 0.404 6 0 4.74 0.384 6 0 4.50 0.40-4 6 0 4.84 0.485 -6 0 0.83 0.235 6 0 0.82 0.22-5 6 0 0.71 0.356 -6 0 0.36 0.246 6 0 -0.04 0.24-6 6 0 0.50 0.397-6 0 21.60 1.10-7 6 0 20.13 1.287 6 0 21.54 1.108 -6 0 2.07 0.368 6 0 1.49 0.32-8 6 0 2.04 0.520 -7 0 0.03 0.150 7 0-0.26 0.241 -7 0 0.99 0.191 7 0 1.03 0.201 7 0 1.31 0.28-1 7 0 1.17 0.302-7 0 37.18 1.69-2 7 0 36.98 1.782 7 0 34.98 1.732 7 0 36.66 1.693 -7 0 -0.02 0.203 7 0 0.32 0.203 7 0 0.24 0.25-3 7 0 -0.24 0.314 -7 0 9.65 0.634 7 0 10.41 0.614 7 0 9.83 0.61-4 7 0 9.71 0.785 -7 0 6.75 0.53-5 7 0 6.40 0.635 7 0 7.30 0.536 -7 0 26.42 1.336 7 0 27.86 1.33-6 7 0 26.32 1.517 -7 0 0.47 0.317 7 0 0.66 0.28-7 7 0 0.35 0.490 -8 0 7.34 0.480 8 0 6.16 0.62-1 -8 0 15.86 0.821 -8 0 16.45 0.841 8 0 14.95 0.94-1 8 0 15.63 0.962 -8 0 10.44 0.652 8 0 10.15 0.632 8 0 10.98 0.74-2 8 0 12.02 0.823 -8 0 2.86 0.34-3 8 0 2.33 0.433 8 0 3.03 0.393 8 0 3.07 0.334 -8 0 1.21 0.29-4 8 0 0.73 0.404 8 0 0.65 0.275-8 0 1.42 0.30-5 8 0 0.40 0.445 8 0 0.98 0.296 -8 0 11.03 0.76-6 8 0 9.38 0.986 8 0 10.34 0.690 -9 0 -0.38 0.220 9 0 -0.32 0.36-1 -9 0 0.32 0.221 -9 0 0.15 0.231 9 0 0.07 0.35-1 9 0 -0.02 0.382 -9 0 29.90 1.48-2 9 0 29.55 1.622 9 0 31.23 1.573 -9 0 9.24 0.663 9 0 9.34 0.643 9 0 8.95 0.74-3 9 0 8.10 0.834 -9 0 5.01 0.46-4 9 0 4.84 0.624 9 0 4.81 0.445 -9 0 5.95 0.515 9 0 5.49 0.48-5 9 0 5.48 0.690 -10 0 0.51 0.270 10 0 0.58 0.441 -10 0 2.33 0.35-1 -10 0 2.67 0.32-1 10 0 2.51 0.521 10 0 2.00 0.48-2 -10 0 4.01 0.402 -10 0 4.94 0.45-2 10 0 4.66 0.632 10 0 5.08 0.573 -10 0 1.64 0.353 10 0 1.20 0.33-3 10 0 1.28 0.5210 0-1-0.37 0.279 0 -1 -0.39 0.24-8 0 1 0.28 0.248 0 -1 0.23 0.22-7 0 1 -0.14 0.197 0 -1 0.06 0.18-6 0 1 0.08 0.166 0 -1 0.16 0.155 0 -1 0.01 0.135 0 -1 -0.11 0.12-5 0 1 -0.09 0.144 0 -1 0.12 0.114 0 -1 0.07 0.11-4 0 1 -0.12 0.123 0 -1 -0.09 0.07-3 0 1 0.15 0.103 0 -1 -0.08 0.08-2 0 1 0.11 0.082 0 -1 0.07 0.072 0 -1 0.00 0.05-1 0 1 -0.42 0.041 0 -1 -0.37 0.041 0 -1 -0.37 0.030 0 1 -0.08 0.010 0 1 -0.09 0.02-1 0 -1 1.84 0.102 0 1-0.03 0.08-2 0 -1 0.09 0.073 0 1 -0.01 0.08-3 0 -1 -0.01 0.08-4 0 -1 0.07 0.114 0 1 0.00 0.11-5 0 -1 -0.02 0.145 0 1 0.07 0.15-6 0 -1 -0.15 0.156 0 1 0.30 0.17-7 0 -1 0.07 0.197 0 1 -0.06 0.198 0 1-0.03 0.249 0 1 0.21 0.2710 0 1 0.25 0.3210 -1 -1 0.20 0.3010 1 -1 0.25 0.289 -1 -1 0.50 0.269 1 -1 0.66 0.258 -1 -1 7.17 0.538 1 -1 8.85 0.53-8 1 1 7.43 0.58-7 -1 1 0.25 0.19-7 1 1 1.79 0.267 1 -1 -0.02 0.17-6 -1 1 5.13 0.376 -1 -1 5.47 0.36-6 1 1 5.45 0.416 1 -1 5.23 0.375 -1 -1 2.55 0.225 -1 -1 2.66 0.24-5 -1 1 2.95 0.26-5 1 1 2.70 0.265 1 -1 2.80 0.265 1 -1 3.02 0.264 -1 -1 57.40 2.494 -1 -1 55.26 2.48-4 -1 1 55.09 2.49-4 1 1 57.79 2.514 1 -1 57.03 2.484 1 -1 53.88 2.503 -1 -1 5.18 0.273 -1 -1 5.31 0.28-3 1 1 5.14 0.313 1 -1 5.32 0.283 1-1 4.78 0.29-2 -1 1 4.29 0.242 -1 -1 4.73 0.242 -1 -1 4.74 0.25-2 1 1 4.68 0.292 1-1 4.90 0.242 1 -1 4.90 0.271 -1 -1 87.15 3.811 -1 -1 86.60 3.811 1 -1 86.64 3.81-1 1 1 87.90 3.821 1 -1 86.95 3.810 -1 1 110.43 5.170 1 1 119.04 5.170 1 -1 129.22 5.230 1 1 111.30 5.200 1 -1 120.90 5.171 -1 1 3.84 0.201 1 1 3.96 0.181 1 1 3.71 0.19-1 1 -1 3.47 0.212 -1 1 82.88 3.55-2 1 -1 81.42 3.562 1 1 78.05 3.55-3 -1 -1 55.52 2.333 -1 1 51.79 2.35-3 1 -1 52.45 2.373 1 1 52.87 2.354 -1 1 3.78 0.28-4 -1 -1 4.09 0.244 1 1 4.36 0.28-4 1-1 4.06 0.31-5 -1 -1 1.48 0.155 -1 1 1.23 0.18-5 1 -1 1.11 0.195 1 1 1.63 0.196 -1 1 17.32 0.87-6 -1 -1 16.81 0.836 1 1 17.12 0.87-6 1 -1 19.14 0.897 -1 1 1.37 0.24-7 1 -1 1.49 0.267 1 1 0.83 0.238-1 1 2.89 0.348 1 1 2.99 0.329 -1 1 -0.29 0.269 1 1 0.14 0.2510 -1 1 2.06 0.3810 1 1 1.97 0.3610 -2 -1 3.21 0.4010 2 -1 2.35 0.349 -2 -1 2.14 0.33-9 2 1 0.62 0.599 2 -1 1.99 0.298 -2 -1 -0.47 0.228 2 -1 0.23 0.21-8 2 1 -0.40 0.27-7 -2 1 19.93 1.017 -2 -1 18.95 0.94-7 2 1 18.47 1.007 2 -1 18.32 0.93-6 -2 1 9.81 0.516 -2 -1 9.68 0.54-6 2 1 9.57 0.606 2 -1 9.00 0.525 -2 -1 2.05 0.20-5 -2 1 1.94 0.215 2 -1 2.32 0.24-5 2 1 2.25 0.265 2-1 2.18 0.204 -2 -1 20.52 0.914 -2 -1 19.91 0.90-4 -2 1 16.63 0.904 2 -1 20.51 0.93-4 2 1 20.29 0.964 2 -1 20.22 0.91-3-2 1 121.37 5.163 -2 -1 114.84 5.163 -2 -1 121.37 5.153 2 -1 114.32 5.17-3 2 1 117.65 5.193 2-1 116.66 5.162 -2 -1 62.42 2.802 -2 -1 64.48 2.79-2 2 1 64.59 2.832 2 -1 62.50 2.802 2 -1 64.46 2.812 2 -1 63.22 2.811 -2 -1 18.78 0.821 -2 -1 18.14 0.841 2 -1 17.80 0.831 2 -1 19.70 0.86-1 2 1 19.01 0.871 2 -1 17.44 0.840 -2 1 232.40 10.020 2 1 229.15 10.090 2 -1 233.56 10.080 2 -1 211.09 9.980 2 1 235.44 9.991 -2 1 704.05 33.20-1 2 -1 793.33 33.121 2 1 720.18 33.19-1 2 -1 819.92 33.362 -2 1 123.92 5.46-2 2 -1 127.25 5.492 2 1 123.10 5.462 2 1 124.90 5.453-2 1 5.69 0.313 2 1 5.29 0.31-3 2 -1 5.41 0.35-4 -2 -1 27.59 1.194 2 1 25.59 1.23-4 2 -1 26.97 1.26-5 -2 -1 37.77 1.655-2 1 38.22 1.705 2 1 36.73 1.69-5 2 -1 36.49 1.736 -2 1 6.35 0.42-6 2 -1 7.13 0.496 2 1 5.53 0.427 -2 1 0.11 0.217 2 1 0.22 0.20-7 2 -1 0.25 0.258 -2 1 2.04 0.308 2 1 2.04 0.28-8 2 -1 2.20 0.349 -2 1 7.02 0.619 2 1 7.37 0.579 -3 -1 0.40 0.299 3 -1 0.62 0.26-9 3 1 0.62 0.388 -3 -1 1.20 0.278 3 -1 1.09 0.25-8 3 1 0.82 0.347 -3 -1 28.62 1.357 3 -1 28.23 1.33-7 3 1 27.82 1.426 -3 -1 1.95 0.23-6 -3 1 2.02 0.206 3 -1 1.80 0.22-6 3 1 2.13 0.305 -3 -1 27.40 1.27-5 -3 1 25.56 1.25-5 3 1 27.74 1.335 3 -1 27.48 1.275 3-1 29.56 1.304 -3 -1 7.47 0.424 3 -1 7.21 0.444 3 -1 7.27 0.41-4 3 1 7.42 0.503 -3 -1 9.68 0.433 -3 -1 9.22 0.473 3-1 8.62 0.473 3 -1 9.26 0.46-3 3 1 9.22 0.542 -3 -1 0.64 0.102 -3 -1 0.56 0.052 3-1 0.50 0.102 3 -1 0.70 0.12-2 3 1 0.42 0.162 3 -1 0.37 0.101 -3 -1 60.23 2.60-1 3 1 59.17 2.631 3 -1 58.49 2.611 3 -1 60.31 2.591 3 -1 55.97 2.590 -3 1 24.11 1.090 3 1 24.62 1.120 3 1 24.75 1.100 3 -1 24.04 1.081 -3 1 0.01 0.081 3 1 0.18 0.10-1 3 -1 0.09 0.131 3 1 0.17 0.082 -3 1 8.50 0.422 3 1 7.52 0.422 3 1 8.48 0.42-2 3 -1 8.97 0.483 -3 1 15.32 0.743 3 1 15.41 0.71-3 3 -1 15.39 0.793 3 1 15.79 0.744 -3 1 0.24 0.14-4 3-1 0.28 0.204 3 1 0.35 0.145 -3 1 1.65 0.205 3 1 2.23 0.22-5 3 -1 2.29 0.296 -3 1 1.17 0.216 3 1 1.25 0.21-6 3-1 1.04 0.297 -3 1 10.46 0.637 3 1 10.20 0.62-7 3 -1 10.31 0.718 -3 1 1.54 0.308 3 1 1.11 0.27-8 3 -1 0.93 0.359 -3 1 13.01 0.809 3 1 11.50 0.759 -4 -1 0.05 0.29-9 4 1 -0.17 0.409 4 -1 -0.25 0.258 -4 -1 0.66 0.288 4 -1 0.55 0.24-8 4 1 0.11 0.387 -4 -1 5.63 0.45-7 4 1 5.34 0.517 4 -1 4.43 0.436 -4 -1 7.18 0.496 4 -1 7.90 0.47-6 4 1 7.39 0.615 -4 -1 3.77 0.31-5 4 1 3.37 0.385 4 -1 3.42 0.314 -4 -1 1.91 0.19-4 4 1 1.86 0.294 4 -1 1.74 0.214 4 -1 1.78 0.183 -4 -1 -0.04 0.12-3 4 1 0.34 0.223 4 -1 -0.08 0.123 4-1-0.08 0.143 4 -1 -0.05 0.142 -4 -1 8.03 0.442 4 -1 8.15 0.432 4 -1 8.35 0.48-2 4 1 9.09 0.532 4 -1 8.36 0.441-4-1 32.02 1.421 4 -1 31.33 1.411 4 -1 30.70 1.411 4 -1 31.05 1.45-1 4 1 31.91 1.460-4 1 2.79 0.200 4 -1 2.52 0.260 4 1 2.62 0.220 4 -1 2.59 0.170 4 1 2.34 0.271 -4 1 19.81 0.901 4 1 18.48 0.901 4 1 18.85 0.92-1 4 -1 19.21 0.95-1 4 -1 20.82 0.862 -4 1 7.37 0.40-2 4 -1 6.97 0.492 4 1 7.56 0.412 4 1 7.21 0.413 -4 1 21.19 0.983 4 1 21.43 0.983 4 1 20.61 0.96-3 4 -1 19.85 1.054 -4 1 2.20 0.22-4 -4 -1 2.24 0.21-4 4 -1 2.64 0.314 4 1 2.08 0.225 -4 1 0.14 0.16-5 4 -1 0.08 0.255 4 1 0.12 0.166 -4 1 0.30 0.206 4 1 0.33 0.20-6 4 -1 0.19 0.297 -4 1 1.91 0.28-7 4 -1 1.92 0.397 4 1 2.31 0.288 -4 1 3.02 0.36-8 4 -1 3.43 0.478 4 1 3.01 0.349 -4 1 1.93 0.36-9 4 -1 1.21 0.449 4 1 1.18 0.319 -5 -1 3.73 0.429 5-1 3.34 0.38-9 5 1 3.30 0.578 -5 -1 0.13 0.28-8 5 1 -0.20 0.428 5 -1 0.19 0.257 -5 -1 1.52 0.277 5 -1 1.41 0.26-7 5 1 1.71 0.436 -5 -1 8.76 0.576 5 -1 8.42 0.54-6 5 1 9.29 0.76-5 -5 1 11.13 0.565 -5 -1 9.38 0.585 5 -1 10.82 0.58-5 5 1 9.18 0.724 -5 -1 17.33 0.864 5 -1 17.60 0.844 5 -1 16.70 0.85-4 5 1 17.84 0.963 -5 -1 6.07 0.383 5 -1 5.54 0.37-3 5 1 5.89 0.493 5 -1 5.54 0.363 5 -1 5.16 0.412 -5 -1 6.40 0.40-2 5 1 6.16 0.482 5-1 6.37 0.362 5 -1 6.38 0.442 5 -1 6.10 0.381 -5 -1 83.72 3.631 5 -1 78.48 3.661 5 -1 81.98 3.621 5 -1 80.39 3.61-1 5 1 85.13 3.680 -5 1 18.96 0.890 5 -1 19.68 0.970 5 1 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7.41 0.71-1 3 -13 8.39 0.591 3 13 6.60 0.691 3 13 9.17 0.522 -3 13 0.22 0.33-2 3 -13 -0.23 0.272 3 13 0.23 0.213 -3 13 0.40 0.223 -3 13 0.45 0.313 3 13 0.79 0.25-3 3 -13 0.26 0.294 -3 13 1.10 0.27-4 3 -13 1.35 0.334 3 13 1.58 0.306 -4 -13 0.00 0.27-6 -4 13 0.84 0.436 4 -13 0.11 0.35-6 4 13 0.92 0.505 -4 -13 -0.34 0.26-5 -4 13 0.03 0.39-5 4 13 0.39 0.475 4 -13 -0.28 0.324 -4 -13 0.34 0.25-4 -4 13 0.22 0.39-4 4 13 0.26 0.444 4 -13 0.22 0.32-3 -4 13 0.65 0.403 -4 -13 0.33 0.253 4 -13 0.44 0.29-3 4 13 0.27 0.40-2 -4 13 0.06 0.372 -4 -13 0.59 0.262 4 -13 0.20 0.27-2 4 13 0.71 0.38-1 -4 13 1.45 0.401 -4 -13 1.20 0.31-1 4 13 2.02 0.391 4 -13 1.95 0.330 -4 13 0.18 0.360 4 13 0.09 0.310 4 -13 -0.11 0.260 4 13 0.18 0.201 -4 13 0.68 0.37-1 4 -13 0.76 0.291 4 13 0.69 0.232 -4 13 0.33 0.35-2 4 -13 0.72 0.272 4 13 0.28 0.253 -4 13 1.79 0.423 -4 13 1.50 0.38-3 4 -13 1.65 0.303 4 13 1.49 0.30-4 4 -13 0.16 0.305 -5 -13 0.46 0.28-5 -5 13 1.56 0.475 5 -13 0.62 0.32-5 5 13 0.78 0.52-4 -5 13 0.57 0.404 -5 -13 -0.08 0.25-4 5 13 0.01 0.454 5 -13 0.53 0.343 -5 -13 19.19 1.01-3 -5 13 18.35 1.20-3 5 13 20.48 1.203 5 -13 20.10 1.072 -5 -13 3.79 0.38-2 -5 13 4.46 0.55-2 5 13 4.93 0.542 5 -13 5.53 0.46-1 -5 13 0.29 0.391 -5 -13 -0.28 0.23-1 5 13 -0.19 0.34-1 5 13 -0.16 0.191 5 -13 0.13 0.270 -5 13 0.61 0.380 5 13 0.04 0.280 5-13 0.19 0.270 5 13 0.12 0.221 -5 13 0.30 0.381 5 13 0.45 0.24-1 5 -13 0.42 0.28-2 5 -13 3.85 0.402 5 13 4.17 0.393 5 13 1.69 0.33-3 5 -13 1.69 0.32-4 -6 13 6.02 0.65-4 6 13 5.96 0.694 6 -13 6.64 0.563 -6 -13 1.35 0.29-3 -6 13 1.89 0.493 6 -13 1.59 0.36-3 6 13 1.63 0.50-2 -6 13 1.44 0.462 -6 -13 1.47 0.292 6 -13 1.45 0.33-2 6 13 1.28 0.441 -6 -13 7.49 0.56-1 -6 13 5.91 0.631 6 -13 7.23 0.61-1 6 13 7.61 0.52-1 6 13 7.22 0.630 -6 13 1.31 0.450 6 13 0.87 0.270 6 -13 1.07 0.311 6 13 12.54 0.76-1 6 -13 12.66 0.76-7 0 14 61.84 3.057 0 -14 64.95 2.956 0 -14 4.04 0.44-6 0 14 3.16 0.53-5 0 14 0.01 0.375 0 -14 0.44 0.28-4 0 14 9.19 0.814 0 -14 9.83 0.673 0 -14 6.24 0.57-3 0 14 7.02 0.72-2 0 14 0.45 0.352 0 -14 0.30 0.26-1 0 14 4.60 0.491 0 -14 4.31 0.410 0 -14 60.95 2.920 0 14 66.71 2.97-1 0 -14 26.54 1.311 0 14 24.92 1.333 0 14 4.86 0.434 0 14 -0.33 0.237 -1 -14 3.46 0.46-7 -1 14 3.49 0.57-7 1 14 3.87 0.607 1 -14 5.04 0.51-6 -1 14 4.36 0.586 -1 -14 4.65 0.466 1 -14 2.74 0.44-6 1 14 4.59 0.595 -1 -14 1.75 0.32-5 -1 14 1.54 0.43-5 1 14 1.69 0.445 1 -14 2.06 0.38-4 -1 14 10.91 0.874 -1 -14 11.58 0.73-4 1 14 11.53 0.874 1 -14 10.73 0.713 -1 -14 0.85 0.27-3 -1 14 1.13 0.40-3 1 14 1.40 0.393 1 -14 1.43 0.322 -1 -14 1.14 0.29-2 -1 14 1.63 0.402 1 -14 1.34 0.29-2 1 14 1.63 0.391 -1 -14 1.07 0.31-1 -1 14 1.44 0.371 1-14 0.93 0.29-1 1 14 1.01 0.360 -1 14 1.34 0.360 -1 -14 0.58 0.270 1 -14 0.39 0.270 1 14 0.74 0.32-1 -1 -14 9.95 0.671-1 14 11.01 0.74-1 1 -14 10.22 0.711 1 14 10.80 0.742 -1 14 0.17 0.30-2 1 -14 -0.14 0.302 1 14 -0.02 0.243 -1 14 -0.17 0.243 1 14 -0.15 0.214 -1 14 6.23 0.514 1 14 7.22 0.546 -2 -14 0.32 0.30-6 -2 14 0.10 0.416 2 -14 0.15 0.35-6 2 14 0.70 0.495 -2 -14 1.02 0.28-5 -2 14 1.42 0.445 2 -14 0.94 0.35-5 2 14 0.99 0.48-4 -2 14 0.10 0.384 -2 -14 0.04 0.244 2 -14 0.12 0.30-4 2 14 0.16 0.40-3 -2 14 -0.02 0.363 -2 -14 0.37 0.25-3 2 14 0.40 0.363 2 -14 0.04 0.282 -2 -14 9.09 0.65-2 -2 14 9.64 0.80-2 2 14 9.66 0.772 2 -14 9.53 0.67-1 -2 14 0.96 0.371 -2 -14 0.65 0.29-1 2 14 0.33 0.331 2 -14 0.56 0.310 -2 14 3.08 0.430 -2 -14 2.98 0.370 2 14 3.46 0.420 2 -14 2.81 0.381 -2 14 10.31 0.751 2 14 10.89 0.68-1 2 -14 10.07 0.662 -2 14 -0.12 0.292 2 14 -0.32 0.21-2 2 -14 -0.18 0.273 2 14 0.33 0.23-3 2 -14 0.41 0.30-6 -3 14 14.12 1.076 -3 -14 14.09 0.856 3 -14 13.87 0.92-6 3 14 15.28 1.15-5 -3 14 9.45 0.875 -3 -14 8.63 0.655 3 -14 9.54 0.73-5 3 14 10.35 0.94-4 -3 14 2.87 0.504 -3 -14 2.82 0.37-4 3 14 3.19 0.554 3 -14 3.33 0.42-3 -3 14 6.99 0.653 -3 -14 6.75 0.57-3 3 14 6.80 0.663 3 -14 8.29 0.582 -3 -14 0.29 0.28-2 -3 14 0.52 0.382 3 -14 0.18 0.30-2 3 14 0.32 0.371 -3 -14 0.87 0.28-1 -3 14 0.86 0.38-1 3 14 1.44 0.371 3-14 1.46 0.340 -3 -14 19.67 1.100 -3 14 21.59 1.190 3 14 20.77 1.140 3 -14 21.02 1.101 -3 14 0.36 0.361 3 14 0.45 0.27-1 3 -14 0.24 0.292 -3 14 4.09 0.492 3 14 3.84 0.36-2 3 -14 4.03 0.433 -3 14 -0.20 0.34-3 3 -14 0.31 0.313 3 14 0.27 0.26-5 -4 14 -0.01 0.445 -4 -14 -0.28 0.26-5 4 14 -0.25 0.485 4 -14 0.01 0.34-4 -4 14 10.08 0.914 -4 -14 10.72 0.704 4 -14 11.64 0.78-4 4 14 11.85 0.973 -4 -14 6.32 0.54-3 -4 14 6.59 0.663 4 -14 7.00 0.60-3 4 14 5.96 0.642 -4 -14 9.77 0.66-2 -4 14 9.95 0.86-2 4 14 10.62 0.852 4 -14 9.39 0.651 -4 -14 8.83 0.64-1 -4 14 8.43 0.851 4 -14 8.32 0.65-1 4 14 10.19 0.780 -4 14 32.94 1.730 4 14 33.83 1.660 4 -14 32.53 1.611 -4 14 1.71 0.43-1 4 -14 1.73 0.341 4 14 1.71 0.272 -4 14 -0.22 0.36-2 4 -14 -0.25 0.282 4 14 0.00 0.254 -5 -14 2.05 0.33-4 -5 14 2.40 0.524 5 -14 2.51 0.42-4 5 14 2.08 0.53-3 -5 14 10.25 0.893 -5 -14 9.75 0.66-3 5 14 10.15 0.923 5 -14 9.26 0.732 -5 -14 0.45 0.27-2 -5 14 0.93 0.45-2 5 14 0.43 0.412 5 -14 1.09 0.33-1 -5 14 1.11 0.451 -5 -14 0.98 0.321 5 -14 1.27 0.33-1 5 14 0.85 0.400 -5 14 4.08 0.540 -5 -14 3.73 0.410 5 -14 4.48 0.431 -5 14 6.26 0.61-1 5 -14 4.45 0.441 5 14 5.90 0.512 -6 -14 0.48 0.28-2 -6 14 0.49 0.46-2 6 14 -0.06 0.412 6 -14 0.73 0.351 -6 -14 0.34 0.30-1 -6 14 -0.02 0.43-1 6 14 -0.19 0.401 6 -14 0.51 0.326 0 -15 -0.07 0.30-6 0 15 0.54 0.47-5 0 15 0.20 0.425 0-15-0.08 0.31-4 0 15 -0.02 0.384 0 -15 0.51 0.34-3 0 15 0.24 0.393 0 -15 -0.22 0.272 0 -15 -0.06 0.31-2 0 15 -0.18 0.35-1 0 15 0.23 0.361 0 -15 -0.38 0.260 0 -15 0.04 0.310 0 15 0.04 0.361 0 15 -0.05 0.33-1 0 -15 -0.18 0.27-2 0 -15 0.20 0.33-6 -1 15 2.35 0.546 -1 -15 1.80 0.36-6 1 15 1.75 0.506 1 -15 1.77 0.37-5 -1 15 4.16 0.555 -1 -15 2.92 0.395 1 -15 3.01 0.40-5 1 15 2.56 0.524 -1 -15 4.73 0.46-4 -1 15 4.49 0.59-4 1 15 4.80 0.584 1 -15 5.33 0.50-3 -1 15 3.52 0.503 -1 -15 3.22 0.41-3 1 15 3.63 0.503 1 -15 4.18 0.44-2 -1 15 0.05 0.372 -1 -15 0.34 0.312 1 -15 0.44 0.29-2 1 15 0.47 0.371 -1 -15 13.34 0.78-1 -1 15 12.49 0.911 1 -15 13.09 0.79-1 1 15 13.53 0.880 -1 -15 11.58 0.770 -1 15 11.15 0.800 1 15 12.00 0.820 1 -15 11.13 0.761 -1 15 3.29 0.44-1 1 -15 2.56 0.37-2 1 -15 2.59 0.41-3 1 -15 5.44 0.526 -2 -15 20.78 1.156 2 -15 21.82 1.225 -2 -15 7.39 0.64-5 -2 15 8.53 0.865 2 -15 8.46 0.70-5 2 15 8.45 0.904 -2 -15 2.27 0.34-4 -2 15 1.99 0.48-4 2 15 2.66 0.514 2 -15 1.97 0.36-3 -2 15 0.35 0.403 -2 -15 0.16 0.263 2 -15 -0.22 0.31-3 2 15 -0.08 0.392 -2 -15 14.15 0.89-2 -2 15 15.13 1.032 2 -15 16.56 0.92-2 2 15 14.96 1.00-1 -2 15 8.25 0.791 -2 -15 8.43 0.61-1 2 15 8.36 0.741 2 -15 9.59 0.690 -2 -15 46.83 2.240 -2 15 46.32 2.300 2 15 47.23 2.270 2 -15 49.09 2.241 -2 15 11.93 0.85-1 -2 -15 12.50 0.77-1 2 -15 12.05 0.752 -2 15 4.30 0.49-2 2-15 4.82 0.47-5 -3 15 9.42 0.975 -3 -15 11.03 0.72-5 3 15 11.26 1.005 3 -15 9.61 0.73-4 -3 15 1.59 0.464 -3 -15 2.16 0.36-4 3 15 2.33 0.544 3 -15 1.99 0.38-3 -3 15 7.49 0.683 -3 -15 6.49 0.58-3 3 15 5.63 0.633 3 -15 6.83 0.642 -3 -15 0.94 0.33-2 -3 15 1.06 0.442 3 -15 1.18 0.35-2 3 15 1.46 0.431 -3 -15 1.60 0.32-1 -3 15 1.80 0.44-1 3 15 1.85 0.411 3 -15 1.09 0.350 -3 -15 0.13 0.310 -3 15 0.70 0.380 3 -15 0.85 0.340 3 15 0.93 0.361 -3 15 0.15 0.36-1 3 -15 0.04 0.292 -3 15 1.04 0.39-2 3 -15 1.06 0.33-4 -4 15 0.35 0.434 -4 -15 0.29 0.284 4 -15 0.19 0.35-4 4 15 0.68 0.50-3 -4 15 -0.01 0.433 -4 -15 0.38 0.31-3 4 15 0.68 0.453 4 -15 -0.09 0.322 -4 -15 0.29 0.29-2 -4 15 0.21 0.42-2 4 15 -0.35 0.392 4 -15 0.22 0.321 -4 -15 0.97 0.32-1 -4 15 0.94 0.431 4 -15 1.17 0.35-1 4 15 0.96 0.420 -4 -15 0.06 0.280 -4 15 0.25 0.410 4 -15 0.11 0.281 -4 15 0.79 0.42-1 4 -15 0.92 0.312 -5 -15 0.37 0.302 5 -15 0.35 0.351 -5 -15 11.33 0.761 5 -15 12.02 0.77-5 0 16 55.24 2.71-4 0 16 1.37 0.474 0 -16 1.95 0.403 0 -16 -0.10 0.29-3 0 16 0.06 0.412 0 -16 3.25 0.43-2 0 16 4.43 0.54-1 0 16 1.37 0.431 0 -16 1.60 0.380 0 -16 -0.03 0.320 0 16 -0.15 0.361 0 16 2.48 0.43-1 0 -16 2.03 0.395 -1 -16 4.75 0.505 1 -16 4.47 0.51-4 -1 16 2.33 0.514 -1 -16 3.01 0.42-4 1 16 2.64 0.524 1 -16 3.14 0.41-3 -1 16 1.53 0.463 -1 -16 0.88 0.35-3 1 16 1.95 0.473 1-16 1.02 0.34-2 -1 16 8.63 0.852 -1 -16 8.67 0.682 1 -16 7.31 0.62-2 1 16 7.80 0.77-1 -1 16 0.83 0.431 -1 -16 0.89 0.341 1 -16 1.36 0.36-1 1 16 1.38 0.410 -1 16 0.30 0.400 -1 -16 -0.16 0.300 1 16 0.30 0.360 1 -16 0.55 0.34-1 -1 -16 1.19 0.331 -1 16 0.80 0.38-1 1 -16 1.62 0.384 -2 -16 -0.04 0.32-4 -2 16 0.24 0.464 2 -16 0.07 0.36-4 2 16 0.16 0.453 -2 -16 0.35 0.32-3 -2 16 0.42 0.44-3 2 16 0.88 0.443 2 -16 0.68 0.34-2 -2 16 -0.21 0.392 -2 -16 0.33 0.32-2 2 16 0.33 0.402 2 -16 -0.07 0.341 -2 -16 -0.02 0.29-1 -2 16 0.42 0.411 2 -16 -0.14 0.33-1 2 16 0.30 0.380 -2 16 5.23 0.570 -2 -16 5.01 0.480 2 -16 5.47 0.510 2 16 6.23 0.67-1 -2 -16 0.80 0.32-1 2 -16 0.21 0.30-3 -3 16 6.17 0.663 -3 -16 6.61 0.613 3 -16 7.50 0.60-3 3 16 6.00 0.68-2 -3 16 1.68 0.472 -3 -16 1.15 0.33-2 3 16 2.04 0.492 3 -16 1.11 0.34-1 -3 16 3.89 0.561 -3 -16 3.07 0.40-1 3 16 3.97 0.521 3 -16 4.19 0.470 -3 -16 0.03 0.300 3 -16 0.72 0.322 0 -17 -0.09 0.350 0 0 0.00 0.00;_shelx _hkl校验和41879_shelx文件;P2（1）/c中的TITL shelxt_ares货架.res由SHELXL-2016/6于2017年7月21日17:43:44创建手机0.71073 8.8704 9.2707 14.4983 90.000 100.236 90.000零4.00 0.0020 0.0021 0.0033 0.000 0.004 0.000LATT 1号机组SYMM-X，1/2+Y，1/2-ZSFAC C H N CL公司单元52 48 8 4尺寸0.18 0.17 0.15MERG 2号机组省略1 0 0OMIT 1 1 2号机组省略0 1 2省略1 4 0OMIT 3 5 9EQIV$1-x+1，y+1/2，-z+1/2ACTA 51.00法案HTAB 2.00000型债券$H形态L.S.10号机组温度-173.15WGHT 0.061500 0.105500自由值0.20151CL1 4 0.640358 0.627808 0.105559 11.00000 0.05985 0.02449=0.03641 0.00539 0.03294 0.00677N1 3 0.171814 0.776838 0.561183 11.000000.02732 0.00994=0.02555 -0.00308 0.01081 0.00064H1 2 0.147357 0.847311 0.585185 11.000000.03323N2 3 0.109988 0.070378 0.640004 11.00000 0.03489 0.01651=0.02563 0.00114 0.01246 0.00135C2 1 0.246818 0.770093 0.485660 11.000000.02270 0.01481=0.02173 0.00290 0.00768 -0.00198AFIX第43页H2 2 0.275842 0.851428 0.452992 11.00000-1.20000AFIX 0公司C3 1 0.273438 0.629532 0.464523 11.00000 0.01631 0.01831=0.01907 0.00118 0.00460 -0.00024C9 1 0.210986 0.544348 0.531299 11.00000 0.01501 0.01553=0.01615 -0.00020 0.00399 0.00010C4 1 0.199535 0.396234 0.544783 11.00000 0.01719 0.01463=0.01689 -0.00184 0.00492 0.00185AFIX第43页H4 2 0.239033 0.329907 0.505155 11.00000-1.20000AFIX 0公司C5 1 0.129183 0.347226 0.617361 11.00000 0.01908 0.01357=0.01823 -0.00021 0.00319 0.00031C6 1 0.070188 0.444309 0.677228 11.00000 0.01979 0.01842=0.01785 0.00124 0.00849 -0.00108AFIX第43页H6 2 0.023885 0.407861 0.726720 11.00000-1.20000AFIX 0公司C7 1 0.079082 0.591430 0.664605 11.00000 0.02214 0.01556=0.02101 -0.00287 0.00825 0.00120AFIX第43页H7 2 0.039358 0.657284 0.704426 11.00000-1.20000AFIX 0公司C8 1 0.148765 0.640025 0.590995 11.00000 0.01769 0.01455=0.02018 -0.00083 0.00347 0.00069C10 1 0.116610 0.193866 0.630388 11.000000.02026 0.01912=0.01837 0.00003 0.00786 0.00186C11 1 0.348954 0.569709 0.388274 11.000000.02070 0.01657=0.01938 0.00196 0.00656 0.00043AFIX第23页H11A 2 0.274405 0.507160 0.347790 11.00000-1.20000H11B 2 0.435584 0.507996 0.417313 11.00000-1.20000AFIX 0公司C12 1 0.409193 0.681379 0.326402 11.000000.02236 0.01770=0.02109 0.00246 0.00723 0.00062AFIX第23页H12B 2 0.485062 0.744131 0.365731 11.00000-1.20000H12A 2 0.323488 0.742828 0.295728 11.00000-1.20000AFIX 0公司C13 1 0.484449 0.607807 0.251270 11.000000.02344 0.01592=0.01854 0.00052 0.00661 -0.00072AFIX第23页H13B 2 0.568781 0.544936 0.282082 11.00000-1.20000H13A 2 0.407955 0.546237 0.211464 11.00000-1.20000AFIX 0公司C14 1 0.546895 0.716469 0.190628 11.000000.02777 0.01712=0.02140 -0.00009 0.01144 0.00072AFIX第23页H14B 2 0.620994 0.780195 0.230493 11.00000-1.20000H14A 2 0.462139 0.777127 0.157872 11.00000-1.20000AFIX 0公司HKLF 4号机组P2（1）/c中的REM shelxt_ares对于1632 Fo>4sig（Fo），REM R1=0.0343，对于所有1952年数据，REM R1=0.0434使用0约束优化REM 149参数结束WGHT 0.0612 0.1488REM潜在氢键说明EQIV$2 x，y+1，zHTAB N1 N2_ 2美元HTAB C2 Cl1_$1REM最高差值峰值0.291，最深孔-0.240，1σ水平0.050第一季度0.1738 0.5763 0.5597 11.00000 0.05 0.29问题2 1 0.1091 0.6255 0.6202 11.00000 0.05 0.24问题3 1 0.6996 0.6945 0.1616 11.00000 0.05 0.23问题4 1 0.1669 0.4865 0.5150 11.00000 0.05 0.22问题5 1 0.7185 0.5776 0.1590 11.00000 0.05 0.22问题6 1 0.2585 0.4901 0.5579 11.00000 0.05 0.22问题7 1 0.3205 0.6935 0.4940 11.00000 0.05 0.21问题8 1 0.1623 0.2790 0.6455 11.00000 0.05 0.21问题9 1 0.1612 0.1504 0.6578 11.00000 0.05 0.21问题10 1 0.4441 0.6427 0.2930 11.00000 0.05 0.21问题11 1 0.2263 0.6961 0.4527 11.00000 0.05 0.21问题12 1 0.0828 0.2859 0.6023 11.00000 0.05 0.21问题13 1 0.1346 0.3739 0.5795 11.00000 0.05 0.20问题14 1 0.1465 0.6920 0.5744 11.00000 0.05 0.20问题15 1 0.2448 0.5795 0.4989 11.00000 0.05 0.20问题16 1 0.0841 0.1519 0.6042 11.00000 0.05 0.20问题17 1 0.4799 0.7669 0.1376 11.00000 0.05 0.20问题18 1 0.7403 0.6439 0.1764 11.00000 0.05 0.19问题19 1 0.5624 0.5533 0.0692 11.00000 0.05 0.19问题20 1 0.1240 0.5240 0.6905 11.00000 0.05 0.19;_搁置_校验和25432