############################################################################### ##本CIF包含了一篇论文中的数据，该论文将于##《结晶学报》第E节。它符合##《结晶学报》第E节作者须知##由IUCr期刊委员会主持的同行评审## ##结晶信息文件格式的完整详细信息##论文“结晶信息文件（CIF）：##S.R.Hall，F.H##艾伦和I.D.布朗【《水晶学报》（1991），A47655-685】## ##核心CIF词典的当前版本可从以下网址获得：## 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。 ## ##本文件可用于##科学界，只要对该杂志给予适当的归属#从中获得它的物品## ###############################################################################数据_I_审核创建方法;烯烃2 1.2（为OlexSys编译了2017.07.20 svn.r3457，GUI svn.r5370）;_日志日期电子2017-08-16_日记_日期_接受2017-11-09_journal_name_full“结晶学报，E部分”_2017年日志_日志_卷73_期刊_第12期_日志页面第一页1898_日志页面最新时间1902_日志_纸张_类别总经理_日志_paper_doi 10.1107/S2056989017016164_日志编辑代码IM2483_publ_contact_author_name“”_publ_contact_author_address“澳大利亚悉尼麦格理大学”_发布_联系人_作者_邮件alec.charlson@gmail.com_publ_contact_author_phone？_公共_部分_标题;\晶体结构多边形[[\m~3~-(S公司)-2-氨基-3-羟基丙酸]-顺式-di-\m-\氯-铯-钯（II）];回路__publ_author_name（发布_作者名称）_公共_作者_脚注_公共_作者_地址“巴德巴德，莫汉·马达夫”。;马克·温赖特分析中心，新南威尔士大学悉尼新南威尔士州2052澳大利亚;“亚历山大·查尔森”。;化学与生物分子科学系，麦格理大学北莱德新南威尔士州2109澳大利亚;_公共_部分_摘要;先前在啮齿类动物试验中证明这种化合物具有抗癌活性系统，最近发现具有抗真菌活性。Pd中心位于双氯原子的方平面配位环境顺式位置和其余两个协调点由N和脱质子的O原子L（左）-丝氨酸。每个Cs阳离子显示与六个氯原子和三个O原子的九倍配位导致类似于众所周知的Cs~2~SO~4的协调环境~结构。;_化学名称系统;\聚乙烯[[\m~3~-(S公司)-2-氨基-3-羟基丙酸]-\顺式-二氯铯钯（II）];_化学名称通用？_化学配方组成‘C3 H6 Cl2 Cs N O3 Pd’_化学公式汇总‘C3 H6 Cl2 Cs N O3 Pd’_化学公式‘[Cs Pd（C3 H6 N O3）Cl2]’_化学公式重量414.30_化学熔点？_货架空间组注释;这种shelxl细化所采用的对称性是唯一定义的由以下循环执行，该循环应始终用作对称信息优先于上述空间组名称。它们仅用作注释。;_空间群晶体系统正交_space_group_name_H-M_alt“P 21 21 2”_space_group_name_调用“P2 2ab”回路__空间组符号操作“x，y，z”'-x，-y，z''-x+1/2，y+1/2，-z''x+1/2，-y+1/2，-z'_单元格长度a 11.594（4）_单元格长度b 17.072（5）_单元格长度c 4.4739（12）_单元格角度α90_单元格_单元格_贝塔90_cell_angle_gamma 90细胞_单元格_卷885.6（5）_单元格_公式_单位_Z 4_单元格_测量_已使用360_单元格_测量_温度_最小值2.369_单元格_测量_高度_最大值20.058_电池_测量_温度150.01_exptl_晶体_描述板_exptl_crystal_color“淡黄色”_exptl晶体尺寸最大值0.077_exptl晶体尺寸id 0.072_exptl晶体尺寸最小0.03_exptl晶体密度衍射3.107_exptl晶体密度测量？_exptl晶体密度方法？_exptl_晶体_F_000 760_出口_吸收_效率_mu 6.708_exptl_absorpt_correction_type多扫描_exptl_absorpt_process_details（导出吸收过程详细信息）;（SADABS；布鲁克，2016）;_货架_估计_吸收T_min？_货架_估计_吸收T_max？_exptl _吸收_修正_最小值0.4994_exptl_吸收_修正_最大0.7459_衍射环境温度150.01_衍射_辐射_类型MoK\a_衍射辐射波长0.71073_diffrin_measurement_device_type‘布鲁克APEXII CCD’_diffrin_measurement_method“f和w扫描”_衍射检测器面积平均值？_diffrn_reflns_number编号5126_diffren_refns_av_R等效物0.1251_衍射_refns_theta_min 2.123_衍射_反射_热_最大值25.000_diffren_refns_theta填写25.000_衍射_测量_分数_热_最大值0.991_衍射_测量_分数_高度_满0.991_diffrn_reflns_limit_h_min-13差异_diffrn_reflns_limit_h_max差异13_衍射_反射_极限_k最小值-20_衍射反射极限k最大值16_衍射_反射_极限_最小-5_衍射反射极限最大值3_衍射标准编号0_细化特殊细节？_refns_number_total参考号_总计1546_参考号_gt 1212_reflns_threshold_expression“I>2\s（I）”_细分_ls_structure_factor_cef Fsqd_refine_ls_matrix_type已满_细化_ ls_R系数_全部0.0642_细化_ls_R_系数_gt 0.0387_细化_ls_wR_factor_gt 0.0655_精炼_ls_wR_factor_ref 0.0758_精炼_ls_goodness_of_fit_ref 0.834_细化_限制_全部0.847_细化_ls_number_reflns 1546_细化ls_number_parameters 91_细化_ls_number_restraints 13_refine_ls_hydrogen_treaction混合_细化_权重_方案计算_refine_ls_weighting_details'w=1/[\s^2^_atom_sites_solution_混合氢_atom_sites_solution_primary？_atom_sites_solution_secondary？_细化_ls_shift/su_max 0.001_细化_ls_shift/su平均值0.000_精制密度最大值1.636_精细度偏差最小值-1.236_refine_ls_extinction_method无_refine_ls_extinction_cef。_细化_ls_abs_structure_details;Flack公司x个使用375个商确定[(我^+^)-(我^-^)]/[(我^+^)+(我^-^)]（帕森斯等。, 2013);_细化_ls_abs_structure_Flack-0.02（5）回路__原子类型符号_原子类型描述_atom_type_scat_dispersion_real格式_atom_type_scat_dispersion_imag_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”“高”“高”0.0000 0.0000“国际表格C卷表4.2.6.8和6.1.1.4”“氯”“氯”0.1484 0.1585“国际表格C卷表4.2.6.8和6.1.1.4”'Cs''Cs'-0.3680 2.1192“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”“O”“O”0.0106 0.0060“国际表格C卷表4.2.6.8和6.1.1.4”'Pd''Pd'-0.9988 1.0072“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，2016）;_计算单元格定义;SAINT（布鲁克，2016）;_计算数据还原;SAINT（布鲁克，2016）;_计算_结构_解决方案;SHELXT（谢尔德里克，2015a）;_计算结构定义;SHELXL2014（谢尔德里克，2015b）;_计算分子图形;有机发光二极管2（多洛曼诺夫等。，2009年）;_计算_发布_材料;有机发光二极管2（多洛曼诺夫等。, 2009);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_原子站点分数z_原子_站点_U_iso_or_equiv_原子站点地址类型_原子网站地址标签_原子站点占用_atom_site监控程序集_原子站点监控程序组Cs Cs1 0.38524（10）0.10339（5）0.6704（2）0.0179（3）单位。Pd Pd1 0.28780（11）0.41984（6）0.5719（2）0.0097（3）Uani d 1。氯离子0.1180（4）0.4294（2）0.8375（9）0.0184（9）单位。氯化物0.3493（4）0.5375（2）0.7574（8）0.0164（10）单位。O O1 0.2471（9）0.3141（6）0.415（2）0.016（3）单位。O O2 0.3137（9）0.2136（6）0.147（2）0.020（3）单位。O O3 0.5412（9）0.2649（6）0.538（2）0.016（2）单位。H H3 0.6175（15）0.2695（16）0.579（8）0.024 Uiso d 1。N N1 0.4279（10）0.4068（7）0.316（3）0.014（2）Uani和1。H H1A 0.430153 0.446008 0.178195 0.017 Uiso计算值1。H H1B 0.492081 0.410758 0.431882 0.017 Uiso计算值1。C C1 0.3228（14）0.2811（9）0.245（3）0.012（4）单位。C C2 0.4286（13）0.3293（8）0.158（4）0.014（2）单位。H H2 0.424782 0.339538-0.061897 0.017 Uiso计算值1。C C3 0.5389（14）0.2847（9）0.222（3）0.016（2）Uani d 1。H H3A 0.541636 0.236400 0.099494 0.019 Uiso计算值1。H H3B 0.606568 0.317387 0.170155 0.019 Uiso计算值1。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_位_等_U_33_原子_位置_同位素_ _12_原子_现场_日产_U_13_原子_现场_日产_U_23Cs1 0.0240（7）0.0163（5）0.0134（5）0.0002（5）-0.0022（5）-00020（4）Pd1 0.0094（7）0.0098（6）0.0097（6）.0012（6）00003（6）000000（5）氯0.015（2）0.0202（19）0.020（2）0.001（2）.003（2）-0.0022（17）氯0.016（3）0.0124（19）0.021（3）-0.0018（19）0.0006（18）-0.0039（15）O1 0.009（6）0.015（5）0.025（7）-0.003（5）0.011（5）-0.005（5氧气0.024（8）0.013（5）0.024（6）-0.001（5）-0.010（6）-0003（5）臭氧0.010（5）0.022（5）0.016（5）0.002（4）0.000（4）N1 0.008（5）0.018（5”0.017（6）0.002（4）-0.004（5）-0.001（5）C1 0.008（9）0.021（9）0.007（9）-0.001（7）0.005（6）0.003（6）C2 0.008（5）0.018（5”0.017（6）0.002（4）-0.004（5）-0.001（5）C3 0.010（5）0.022（5）0.016（5）0.002（4）0.000（4）_地理_特殊_详细信息;所有esd（两个l.s.平面之间二面角的esd除外）使用全协方差矩阵进行估计在估计距离、角度的esd时单独考虑和扭转角；细胞参数中esd之间的相关性仅为当它们由晶体对称性定义时使用。近似（各向同性）细胞esd的处理用于估计涉及l.s.平面的esd。;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2_地理绑定距离_geom_bond_publ标志Cs1 Cs1 2_655 4.421（2）年Cs1 Pd1 3_546 3.8755（17）年Cs1 Cl1 4_557 3.528（4）yCs1 Cl1 4_556 3.572（4）yCs1 Cl1 3_546 3.740（4）yCs1 Cl1 3_547 3.698（4）yCs1 Cl2 3_546 3.510（4）yCs1 Cl2 3_547 3.901（4）yCs1 O2。3.117（10）年Cs1 O2 1_556 2.962（10）年Cs1臭氧。3.349（10）年Cs1 C1。3.654（15）年Pd1第1条。2.305（4）年Pd1第2类。2.287（4）年Pd1 O1。1.993（9）年Pd1 N1。2000（12）年O1 C1。1.291(17) ?氧气C1。1.238(18) ?臭氧H3。0.907(12) ?臭氧C3。1.458(18) ?甲型H1A流感。0.9100 ?甲型H1B流感。0.9100 ?N1 C2。1.500(17) ?C1 C2。1.53(2) ?C2 H2。1.0000 ?C2 C3。1.52(2) ?C3 H3A。0.9900 ?C3 H3B。0.9900？环路__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3_地理角度_地理角度ubl标志Pd1 Cs1 Cs1 3_546 2_655 70.48（4）？Pd1 Cs1 Cl2 _546 _547 65.76（6）？氯Cs1 Cs1 3_547 2_655 50.56（7）？氯Cs1 Cs1 4_557 2_655 54.04（6）？氯Cs1 Cs1 4_556 2_655 54.55（6）？氯Cs1 Cs1 3_546 2_655 51.09（7）？氯Cs1 Pd1 _556 _546 94.97（7）？氯Cs1 Pd1 _557 _546 116.25（7）？氯Cs1 Pd1 _546 3 _546 35.18（7）？Cl1 Cs1 Pd1 _547 _546 60.77（7）？Cl1 Cs1 Cl1 _557 _547 60.58（12）？Cl1 Cs1 Cl1 _557 _556 78.11（9）？氯Cs1氯_556 _547 105.11（6）？氯Cs1氯_557_546 105.13（6）？Cl1 Cs1 Cl1 _547 _546 73.95（7）？Cl1 Cs1 Cl1 _556 _546 59.79（11）？氯Cs1 Cl2 _557 _547 94.47（10）？氯Cs1氯_547 50.97（8）？氯Cs1 Cl2 _546 _547 99.35（9）？Cl2 Cs1 Cl2 _556 _547 154.03（9）？第1类Cs1 C1 4_557。127.5(3) ?Cl1 Cs1 C1 4_556。87.0(3) ?氯Cs1 Cs1 3_547 2_655 100.91（6）？氯Cs1 Cs1 3_546 2_655 102.14（7）？氯Cs1 Pd1 _546 3 _546 35.65（6）？氯Cs1氯_546 _557 151.89（9）？氯Cs1氯_546 _547 93.39（9）？Cl2 Cs1 Cl1 3_546 3_546 53.58（9）？Cl2 Cs1 Cl1 3_546 4_556 100.86（10）？Cl2 Cs1 Cl2 _546 _547 74.06（8）？氯Cs1 C1 3_546。80.1(3) ?氧气Cs1 Cs1。2_655 129.96(19) ?氧气Cs1 Cs1 1_556 2_655 132.5（2）？氧气Cs1 Pd1 1_556 3_546 124.7（2）？氧气Cs1 Pd1。3_546 98.06(19) ?氧气Cs1 Cl1 1_556 4_557 82.3（2）？氧气Cs1 Cl1。3_546 91.2(2) ?氧气Cs1 Cl1。4_556 79.5(2) ?氧气Cs1 Cl1。3_547 158.4(2) ?O2 Cs1 Cl1 1_556 3_546 159.9（2）？氧气Cs1 Cl1。4_557 140.2(2) ?O2 Cs1 Cl1 1_556 3_547 94.5（2）？O2 Cs1 Cl1 1_556 4_556 140.3（2）？O2 Cs1 Cl2 1_556 3_546 112.3（2）？氧气Cs1 Cl2。3_547 118.8(2) ?氧气Cs1 Cl2。3_546 65.0(2) ?O2 Cs1 Cl2 1_556 3_547 61.0（2）？氧气Cs1氧气1_556。94.8(3) ?O2 Cs1 O3。60.9(3) ?氧气Cs1 O3 1_556。75.8(3) ?氧气Cs1 C1。19.0(3) ?氧气Cs1 C1 1_556。78.0（3）？O3、Cs1、Cs1。2_655 109.42(18) ?O3 Cs1第1页。3_546 153.60(18) ?O3 Cs1氯。4_557 80.07(19) ?O3 Cs1氯。3_546 123.52(19) ?O3 Cs1氯。4_556 66.99(18) ?O3 Cs1氯。3_547 140.51(19) ?O3 Cs1 Cl2。3_547 136.84(18) ?O3 Cs1 Cl2。3_546 125.87(19) ?O3 Cs1 C1。48.1(3) ?C1 Cs1 Cs1。2_655 141.5(2) ?C1 Cs1第1页。3_546 115.0(2) ?C1 Cs1第1条。3_546 109.9(2) ?C1 Cs1第1条。3_547 167.2(3) ?C1 Cs1第2条。3_547 116.3(3) ?Cl1 Pd1 Cs1。3_556 69.20(10) ?Cl2 Pd1 Cs1。3_556 63.44(11) ?Cl2 Pd1 Cl1。90.97(14) ?O1 Pd1 Cs1。3_556 120.7(3) ?O1 Pd1 Cl1。92.5（3）？O1 Pd1 Cl2。175.4(3) ?O1 Pd1 N1。83.7(4) ?N1 Pd1 Cs1。3_556 110.5(3) ?N1 Pd1 Cl1。175.3(4) ?N1 Pd1 Cl2。93.0(3) ?Cs1 Cl1 Cs1 _456 _557 119.79（11）？Cs1 Cl1 Cs1 _457 75.40（8）？Cs1 Cl1 Cs1 _557 _556 73.95（7）？Cs1 Cl1 Cs1 _457 _556 119.82（11）？Cs1 Cl1 Cs14 _456 74.36（8）？Cs1 Cl1 Cs1 _457 _456 78.11（9）？Pd1 Cl1 Cs1。3_556 75.62(10) ?Pd1 Cl1 Cs1。4_456 107.83(14) ?Pd1 Cl1 Cs1。4_457 164.55(15) ?Pd1 Cl1 Cs1。3_557 111.88(14) ?Cs1 Cl2 Cs1 _556 _557 74.06（8）？Pd1 Cl2 Cs1。3_557 105.91(14) ?Pd1 Cl2 Cs1。3_556 80.92(12) ?C1 O1 Pd1。116.2（9）？Cs1 O2 Cs1 1_554。94.8(3) ?C1 O2 Cs1。1_554 145.3(10) ?C1氧气Cs1。105.8(9) ?Cs1 O3 H3。124.3（19）？C3 O3 Cs1。110.7(8) ?C3 O3 H3。101(2) ?Pd1 N1 H1A。109.2 ?Pd1 N1 H1B。109.2 ?H1A N1 H1B。107.9 ?C2 N1第1页。111.9(9) ?C2 N1 H1A。109.2 ?C2 N1 H1B。109.2 ?O1 C1 Cs1。101.0(8) ?O1 C1 C2。117.5(13) ?氧气C1 Cs1。55.1(8) ?氧气C1 O1。123.8(15) ?氧气C1 C2。118.7(14) ?C2 C1 Cs1。114.9(9) ?N1 C2 C1。110.5（13）？N1 C2 H2。108.0 ?N1 C2 C3。111.1(12) ?C1 C2 H2。108.0 ?C3 C2 C1。111.0（13）？C3 C2 H2。108.0 ?O3 C3 C2。108.4(14) ?O3 C3 H3A。110.0 ?O3 C3 H3B。110.0 ?C2 C3 H3A。110.0 ?C2 C3 H3B。110.0 ?H3A C3 H3B。108.4 ?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臭氧H3臭氧_556 0.907（12）2.07（2）2.750（14）131（3）O3 H3 O2 4_556 0.907（12）2.60（2）3.479（15）163（3）N1 H1A Cl2 1_554 0.91 2.62 3.471（13）156.1N1 H1B Cl2 2_665 0.91 2.51 3.388（13）163.3C2 H2 O3 1_554 1.00 2.58 3.255（19）125.0_shelx _ hkl文件;0 0 1 4519.85 336.970 0 -1 3626.14 383.960 0 1 4701.33 394.960 0 -1 4886.41 337.970 0 -1 4775.52 315.070 0 1 4689.83 314.870 0 -2 596.84 44.100 0-2 597.04 94.690 0 2 518.05 42.200 0 -2 742.93 208.680 0 -3 161.78 70.690 0 -3 174.58 159.980 0 -3 157.88 20.000 0 -4 164.28 203.380 0 -4 242.38 28.100 0 -4 300.97 104.19-1 0 0 -1.60 2.401 0 0 4.20 3.70-1 0 1 449.86 35.50-1 0 1 511.25 116.19-1 0 1 630.04 62.991 0 -1 499.95 120.09-1 0 -1 470.25 135.791 0 1 512.25 133.791 0 1 259.07 62.591 0 -1 445.76 36.20-1 0 -1 417.26 70.29-1 0 2 2655.33 183.881 0 -2 2590.44 184.18-1 0 -2 2644.04 181.88-1 0 -2 2596.34 233.581 0 -2 2267.47 306.77-1 0 -2 2793.72 342.871 0 -3 31.70 13.40-1 0 -3 31.00 10.20-1 0 3 28.70 10.60-1 0 -3 59.99 141.491 0 -3 65.29 132.8910-3 2.80 55.39-1 0 -3 -8.90 56.391 0 -4 260.07 211.98-1 0 -4 391.26 114.991 0 -4 297.47 35.40-1 0 -4 484.75 266.77-1 0 -5 -43.80 93.892 0 0 1389.76 91.792 0 0 1232.78 94.59-2 0 0 1298.37 94.292 0 -1 1036.30 82.29-2 0 -1 1455.15 134.79-2 0 1 980.80 138.892 0 -1 1198.28 141.392 0 1 1296.07 127.49-2 0 1 1075.39 82.19-2 0 -1 1164.78 202.482 0 1 989.50 181.08-2 0 2 470.35 40.702 0 -2 481.45 155.78-2 0 -2 512.55 195.08-2 0 -2 288.47 89.392 0 -2 475.15 41.902 0 -3 94.39 19.40-2 0 -3 39.40 70.092 0 -3 73.79 129.89-2 0 -3 74.99 12.70-2 0 -3 189.48 183.78-2 0 -4 128.59 198.982 0 -4 6.00 16.50-2 0 -4 22.40 76.892 0 -4 1.10 157.38-2 0 -5 221.58 130.893 0 0 -2.70 8.90-3 0 0 -3.50 11.203 0 0 -1.80 5.70-3 0 1 1519.25 166.78-3 0 1 1545.85 116.99-3 0-1 1678.53 170.283 0 -1 1627.64 117.79-3 0 -1 1432.86 214.38-3 0 -1 1688.73 115.093 0 1 1477.75 197.78-3 0 -2 2178.78 228.883 0 -2 2164.28 162.983 0-2 2370.36 273.47-3 0-2 2101.89 317.37-3 0 -2 2306.67 158.683 0 2 2228.88 344.073 0 -3 47.80 17.50-3 0 -3 61.89 141.09-3 0 -3 -4.10 67.293 0 -3 -7.40 111.89-3 0 -3 78.29 13.603 0 -4 21.20 145.593 0 -4 0.70 17.80-3 0 -4 -83.89 175.68-3 0 -4 21.10 78.89-3 0 -5 73.29 119.59-3 0 -6 -132.39 132.894 0 0 1795.82 127.794 0 0 1797.92 133.49-4 0 0 1870.31 133.794 0 1 210.78 96.89-4 0 -1 205.18 116.59-4 0 1 379.26 88.69-4 0 -1 308.87 30.204 0 -1 293.37 35.10-4 0 -2 2810.42 184.38-4 0 -2 2606.94 362.26-4 0 -2 1901.81 245.184 0 2 2591.04 318.674 0 -2 2625.74 189.08-4 0 -3 955.10 174.78-4 0 -3 568.54 253.97-4 0 -3 882.01 66.894 0-3 820.32 74.594 0 -3 1116.69 260.974 0 -4 57.79 23.704 0 -4 90.09 173.38-4 0 -4 -134.19 161.78-4 0 -4 5.70 90.69-4 0 -5 399.66 152.88-4 0-6 703.23 217.185 0 0-6.90 14.905 0 0 5.90 7.90-5 0 -1 -7.70 60.295 0 1 -43.00 71.29-5 0 -1 176.68 113.69-5 0 -2 -32.40 114.295 0 2 13.60 111.395 0 -2 58.99 18.00-5 0 -2 16.10 68.495 0 -3 1225.68 248.18-5 0 -3 796.62 65.79-5 0 -3 726.83 280.27-5 0 -3 815.92 172.985 0 -3 785.82 73.19-5 0 -4 2067.19 275.875 0 -4 2003.60 157.78-5 0 -5 467.65 166.486 0 0 450.65 47.806 0 0 446.26 36.906 0 -1 329.77 36.50-6 0 -1 132.69 109.096 0 -1 252.67 36.20-6 0 -1 268.57 23.20-6 0 -2 27.80 81.496 0 2 -31.20 115.396 0 -2 22.40 16.30-6 0 -2 67.89 126.896 0 -3 139.99 33.10-6 0 -3 104.59 180.68-6 0 -3 152.28 111.596 0-4 171.88 38.10-6 0 -4 51.79 107.49-6 0 -5 -109.09 106.097 0 0 11.20 9.207 0 0 -1.00 12.807 0 -1 54.79 20.307 0 -1 49.20 22.70-7 0-1 5.80 99.597 0-2 202.88 34.00-7 0 -2 101.89 140.69-7 0 -2 70.99 93.097 0 2 74.49 123.19-7 0 -3 897.61 314.677 0 -3 1059.49 92.39-7 0 -3 752.92 187.687 0 -4 809.32 81.09-7 0 -4 776.52 206.28-7 0 -5 93.69 138.698 0 0 462.95 40.008 0 0 584.24 54.498 0 -1 20.50 23.00-8 0 -1 -5.00 109.498 0 -1 9.90 17.40-8 0 -2 380.46 141.898 0 -2 418.56 53.99-8 0 -2 69.69 143.09-8 0 -3 449.56 232.488 0 -3 396.76 57.99-8 0 -3 325.27 145.79-8 0 -4 143.79 137.098 0 -4 98.89 38.50-8 0 -5 13.70 142.99-9 0 0 6.50 90.499 0 0 -11.10 20.409 0 -1 939.11 81.399 0 -1 964.90 87.89-9 0 -2 1963.90 301.879 0 -2 1767.92 154.589 0-2 2060.39 157.78-9 0 -3 269.37 143.999 0 -3 328.07 54.199 0 -4 40.50 31.50-9 0 -4 49.60 125.99-9 0 -5 45.70 158.78-10 0 -1 145.09 145.8910 0-1 327.67 43.4010 0-1 373.06 57.0910 0 -2 73.09 32.80-10 0 -2 17.00 157.08-10 0 -2 88.49 113.1910 0 -2 10.80 22.70-10 0 -3 55.79 120.6910 0 -3 36.80 31.5010 0 -4 225.08 51.79-10 0 -4 238.18 180.5811 0 0 -2.10 19.20-11 0 0 -35.50 119.6911 0 -1 201.18 41.50-11 0 -1 -70.69 140.89-11 0 -2 65.89 112.8911 0 -2 83.49 38.00-11 0 -3 74.49 132.9911 0 -3 41.40 35.10-11 0 -4 114.39 168.5811 0 -4 17.30 38.6012 0 -1 567.24 78.49-12 0 -2 110.09 128.2912 0 -2 20.60 25.30-12 0 -3 54.89 142.2912 0 -3 6.50 32.9012 0 -4 105.89 50.69-12 0 -4 112.59 188.7813 0 -1 75.99 38.9013 0 -2 451.55 73.39-13 0 -2 260.37 163.2813 0 -3 -0.30 37.50-13 0-3 31.40 152.0814 0 -2 159.48 46.50-14 0 -2 176.48 164.6814 0 -3 65.79 38.90-15 0 -1 10.90 134.990 -1 0 1.00 1.700 1 0 17.20 17.200 1 0-1.50 1.100-1 0-5.30 10.400 -1 1 7.40 25.200 -1 1 21.00 85.090 1 1 21.10 31.700 -1 1 13.20 4.100 1 1 31.10 73.790 -1 -1 2.70 7.200 1 1 7.70 6.400 -1 -1 8.70 33.300 1 -1 -47.50 76.690 1 -1 13.30 27.300 1 -1 11.50 4.600 -1 -1 -9.50 75.790 1 -2 467.65 32.400 -1 -2 425.26 84.790 -1 -2 397.16 35.400 1 -2 605.34 88.790 1 2 354.46 32.700 -1 -2 271.07 149.490 1 -2 327.47 168.080 -1 2 386.06 30.900 -1 -3 558.34 222.480 1 -3 434.16 37.200 1 -3 583.84 223.780 1 -3 564.04 108.690 -1 -3 529.25 110.290 -1 -3 460.55 41.100 1 -4 3026.30 277.970 1 -4 2345.47 507.350 -1 -4 2470.55 192.180-1-4 2625.34 519.450 -1 -4 3222.98 293.471 1 0 224.98 19.201 -1 0 263.27 19.20-1 1 0 406.36 70.99-1 -1 0 214.78 19.001 1 -1 203.28 20.60-1 1 1 178.88 44.201-1 1 90.29 42.601 -1 1 263.47 116.59-1 -1 -1 184.48 58.29-1 1 1 201.48 83.79-1 -1 -1 348.27 108.791 1 -1 251.87 98.09-1 1 1 192.98 20.80-1 -1 1 232.68 95.79-1 -1 1 336.17 46.60-1 1 -1 244.98 122.891 -1 -1 187.98 21.30-1 1 -1 218.88 16.10-1 1 -1 187.08 50.891 1 1 309.07 110.89-1 -1 1 248.38 20.701 1 1 206.98 49.501 -1 -1 260.27 48.101 -1 -1 241.58 90.991 1 -2 1034.80 226.881 1 -2 914.11 66.09-1 -1 -2 989.10 235.88-1 1 2 864.41 66.89-1 -1 -2 857.31 65.79-1 -1 -2 742.03 122.19-1 1 -2 683.73 218.78-1 1 -2 1335.27 125.29-1 1 -2 881.51 61.991 -1 -2 1018.60 112.791 -1 -2 701.73 191.48-1 -1 2 856.31 65.391-1-2 807.62 67.591 1 -3 500.05 40.90-1 1 3 443.06 39.80-1 -1 -3 648.04 125.39-1 -1 -3 519.75 40.90-1 -1 -3 478.35 218.481 1 -3 339.87 186.68-1 1-3 532.25 107.991-1-3 409.06 191.88-1 1 -3 528.35 227.781 -1 -3 412.76 97.79-1 -1 3 439.76 38.40-1 1 -3 457.75 35.201 -1 -3 438.76 42.50-1 -1 -4 191.88 24.80-1 -1 -4 -44.00 176.881 1 -4 128.99 181.48-1 -1 -4 107.99 86.691 1 -4 160.88 22.801 -1 -4 -14.40 163.281 -1 -4 168.48 27.10-1 1 -4 234.88 97.59-1 1 -4 -25.50 162.38-1 -1 -5 27.30 107.69-1 1 -5 114.09 114.692 -1 0 2092.69 146.59-2 1 0 1984.00 146.19-2 -1 0 1989.90 146.292 1 0 2145.89 145.39-2 -1 0 2188.28 145.392 1 0 2025.20 146.59-2 1 1 1251.77 97.992 1 -1 1526.05 158.182 -1 1 1415.36 194.98-2 -1 -1 1223.78 187.282 1 -1 1283.37 97.69-2 1 1 1220.08 150.482 -1 1 1331.67 135.99-2 1-1 1401.66 94.992 -1 -1 1288.67 98.49-2 -1 1 1099.09 150.08-2 1 -1 1310.17 204.282 -1 -1 1761.12 163.582 1 1 1457.65 135.89-2 -1 1 1332.87 97.59-2 1-1 1436.46 140.392 1 1364.56 175.482 1 -2 948.51 208.38-2 -1 -2 766.72 222.982 1 -2 817.92 63.59-2 1 2 829.32 63.89-2 -1 -2 619.34 121.192 -1 -2 786.02 64.19-2 1 -2 788.62 57.59-2 1 -2 746.23 123.79-2 1 -2 801.62 57.39-2 -1 2 778.72 62.792 -1 -2 1074.09 213.48-2 1 -2 955.70 251.572 1 2 1035.00 236.682 1 -3 950.90 72.79-2 -1 -3 965.90 70.49-2 -1 -3 766.62 268.672 1 -3 1093.29 274.47-2 -1 -3 1091.09 168.28-2 1 -3 923.41 149.59-2 1 -3 931.71 298.87-2 -1 3 855.81 70.892 -1 -3 915.91 74.492 -1 -3 1017.80 264.07-2 1 -3 904.31 63.89-2 1 -3 872.31 63.892 1 -4 373.86 37.30-2 -1 -4 274.97 112.49-2 -1 -4 348.27 247.982 1 -4 309.37 211.082-1-4 436.56 229.58-2 1 -4 326.97 269.472 -1 -4 265.97 38.40-2 1 -4 394.16 122.79-2 -1 -5 40.10 115.79-2 1 -5 -147.09 94.29-2 -1 -6 48.40 143.89-3-1 0 16.50 7.90-3 1 0 22.10 12.703 -1 0 17.60 10.703 1 0 19.80 11.10-3 -1 0 21.90 12.603 1 0 22.30 9.503 -1 1 705.63 56.09-3 1 1 848.52 115.19-3 -1 -1 858.11 163.583 -1 1 787.12 167.583 1 -1 758.22 60.09-3 -1 -1 700.93 118.39-3 1 1 738.93 59.09-3 -1 1 727.33 58.493 1 1 790.12 140.99-3 -1 1 647.44 107.09-3 1 -1 717.83 116.59-3 1 -1 747.83 56.693 -1 -1 738.13 60.49-3 1 -1 703.13 171.183 1 -2 282.37 119.79-3 -1 -2 267.67 163.083 1 -2 289.97 31.90-3 -1 -2 296.57 97.493 1 2 316.07 152.183 -1 -2 286.87 35.103 -1 -2 316.67 128.39-3 1 -2 273.87 25.70-3 1 -2 345.67 178.78-3 1 -2 341.67 91.493 1 -3 354.46 166.783 1-3 345.17 39.80-3 -1 -3 259.77 197.58-3 -1 -3 375.56 114.09-3 -1 -3 361.56 32.90-3 1 -3 341.47 104.19-3 1 -3 320.97 27.10-3 1 -3 328.97 216.583-1-3 335.57 40.903-1-3 476.15 187.18-3 1 -3 344.77 27.103 1 -4 428.16 46.403 1 -4 633.64 255.27-3 -1 -4 490.65 143.39-3 -1 -4 500.25 294.573 -1 -4 455.95 223.78-3 1 -4 388.76 126.093 -1 -4 451.35 52.39-3 1 -4 665.63 317.57-3 -1 -5 376.76 151.48-3 1 -5 286.47 139.39-3 -1 -6 540.65 215.38-3 1 -6 497.85 192.484 1 0 451.85 45.604 -1 0 523.85 44.70-4 -1 0 456.65 44.904 1 0 562.64 41.70-4 1 0 484.55 44.10-4 -1 0 537.75 41.204 -1 1 302.97 123.89-4 -1 -1 645.84 50.694 1 -1 646.14 53.894 -1 1 583.04 48.90-4 1 1 925.01 123.09-4 -1 -1 530.25 140.39-4 1 -1 605.54 49.604 -1 -1 538.65 52.99-4 -1 1 576.44 95.99-4 1 -1 430.76 148.49-4-1-2 2466.95 255.57-4 -1 -2 2308.27 337.17-4 -1 -2 2563.14 178.784 1 -2 3320.57 292.274 1 -2 2504.25 182.08-4 1 -2 2463.35 351.06-4 1 -2 2148.78 244.084-1-2 2464.35 182.78-4 1-2 2603.94 176.884 1 2 1693.13 281.47-4 -1 -3 466.95 232.98-4 -1 -3 257.17 114.794 1 -3 487.95 176.484 1 -3 539.65 48.60-4 -1 -3 456.95 42.50-4 1 -3 213.58 195.684 -1 -3 537.85 186.78-4 1 -3 493.45 129.59-4 1 -3 472.45 38.404 -1 -3 430.86 48.304 1 -4 168.88 32.50-4 -1 -4 320.87 253.374 1 -4 257.77 183.08-4 -1 -4 247.58 128.394 -1 -4 169.88 180.28-4 1 -4 188.28 229.284 -1 -4 221.78 36.40-4 1 -4 182.48 110.29-4 -1 -5 227.88 135.49-4 1 -5 130.99 126.49-4 -1 -6 10.90 138.49-4 1 -6 56.09 147.495 1 0 5250.27 398.965 -1 0 5854.61 399.865 1 0 5653.03 394.365 -1 0 5954.70 391.36-5 -1 -1 1565.24 216.185 -1 1 1627.74 123.195 1-1 1859.61 128.695 1 -1 1754.42 127.69-5 -1 -1 1584.34 120.595 -1 -1 1562.34 126.89-5 1 -1 1540.55 249.185 1 -2 101.99 24.005 -1 2 -10.60 123.49-5-1-2 32.70 123.69-5-1-2 56.19 75.29-5 1 -2 95.49 75.09-5 1 -2 -3.70 127.195 -1 -2 67.29 22.40-5 1 -2 81.79 18.205 1 2 46.50 113.395 1 -3 198.68 136.995 1 -3 169.58 30.90-5 -1 -3 301.77 203.78-5 -1 -3 173.28 105.395 -1 -3 169.98 138.39-5 1 -3 151.48 22.205 -1 -3 165.78 32.30-5 1 -3 144.49 101.69-5 1 -3 -31.10 149.79-5 -1 -4 318.47 141.395 1 -4 228.68 38.20-5 1 -4 212.98 124.295 -1 -4 221.18 38.70-5 -1 -5 183.98 146.69-5 1 -5 33.60 112.596 1 0 -8.60 17.406 -1 0 4.30 6.606 1 0 -3.60 9.706 -1 0 -7.10 17.206 -1 1 378.96 39.606 1 -1 302.07 38.906 1 -1 398.96 44.10-6 -1 -1 424.56 33.40-6 -1 -1 261.27 120.796-1-1 363.36 40.80-6 1 -1 228.28 130.296 -1 2 -70.49 118.096 1 -2 282.47 38.40-6 -1 -2 178.78 101.69-6 -1 -2 101.59 140.096 1 2 -18.30 99.796-1-2 282.27 39.40-6 1-2 147.09 142.19-6 1 -2 344.27 116.19-6 -1 -3 446.86 149.396 1 -3 509.05 61.19-6 -1 -3 494.25 261.07-6 1 -3 440.66 145.09-6 1 -3 419.96 241.786 -1 -3 577.54 59.09-6 -1 -4 35.60 106.196 1 -4 60.59 26.80-6 1 -4 170.68 121.496 -1 -4 98.79 34.60-6 -1 -5 206.88 153.38-6 1 -5 175.68 145.397 -1 0 1428.66 117.597 -1 0 1467.25 104.797 1 0 1546.85 109.397 1 0 1457.15 118.397 1 -1 1335.27 109.49-7 -1 -1 1428.46 97.797 -1 1 1337.57 106.997 1 -1 1265.77 106.597 -1 -1 1314.17 110.69-7 -1 -2 204.78 156.987 1 -2 248.88 44.507 1 -2 274.07 40.10-7 -1 -2 170.88 105.597 -1 -2 351.96 46.00-7 1 -2 426.76 129.59-7 1 -2 226.58 161.387 1 2-21.10 87.897 1 -3 28.20 23.30-7 -1 -3 -59.99 167.98-7 -1 -3 79.19 104.197 -1 -3 5.70 22.40-7 1 -3 68.89 157.68-7 1 -3 24.20 94.09-7-1-4 193.28 136.297 1-4 234.68 43.60-7 1 -4 334.07 151.487 -1 -4 236.78 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60.79-1 -19 0 417.56 66.291 -19 1 161.08 40.90-1 -19 -1 233.78 54.99-1 -19 1 177.18 43.601 -19 -1 278.27 54.791 -19 2 -14.70 28.10-1 -19 -2 -27.90 32.201 -19 -2 -33.80 27.20-1 -19 2 79.79 31.70-1 -19 -3 135.39 53.591 -19 -3 343.67 157.281 -19 -3 123.59 53.692 -19 0 25.30 31.60-2 -19 0 34.50 30.702 -19 1 8.40 23.50-2 -19 -1 -14.40 29.50-2 -19 1 15.80 24.702 -19 -1 38.60 33.60-2 -19 -2 155.38 51.992 -19 -2 149.99 47.00-2 -19 2 83.49 30.50-2 -19 -3 242.38 64.592 -19 -3 150.48 57.093 -19 0 655.13 83.29-3 -19 0 527.15 79.49-3 -19 -1 260.37 53.593 -19 1 295.87 52.59-3 -19 1 208.18 46.303 -19 -1 242.38 56.59-3 -19 -2 6.80 25.903-19-2 35.70 38.40-3 -19 2 33.20 26.90-3 -19 -3 57.99 46.603 -19 -3 1.10 43.40-4 -19 0 75.29 35.704 -19 0 25.90 30.40-4 -19 -1 172.38 50.694 -19 1 268.77 49.304 -19 -1 268.17 58.89-4 -19 1 203.78 47.10-4 -19 -2 140.89 50.59-4 -19 2 44.90 30.304 -19 -2 101.59 47.70-4 -19 -3 130.49 56.294 -19 -3 41.70 49.305 -19 0 46.40 35.00-5 -19 -1 64.79 39.605 -19 1 79.59 34.705 -19 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36.503 -20 0 95.19 38.203 -20 1 36.60 31.60-3 -20 -1 31.10 35.10-3 -20 1 85.49 34.403 -20 -1 3.90 32.50-3 -20 -2 68.19 39.003 -20 -2 73.89 39.80-3 -20 2 76.39 31.80-3 -20 -3 230.78 68.293 -20 -3 209.48 66.294 -20 0 482.25 74.39-4 -20 0 437.96 70.394 -20 1 323.37 59.29-4 -20 -1 277.47 57.894 -20 -1 269.07 61.69-4 -20 1 305.47 56.79-4 -20 -2 41.00 42.904 -20 -2 16.40 41.00-4 -20 2 39.60 29.205 -20 0 103.59 42.50-5 -20 0 114.09 43.405 -20 1 497.65 68.69-5 -20 -1 347.87 67.995 -20 -1 317.17 67.79-5 -20 -2 294.37 68.495 -20 -2 230.48 65.49-5 -20 2 319.37 57.196 -20 0 -31.70 29.50-6 -20 -1 14.70 25.306 -20 1 7.40 36.206 -20 -1 -14.60 31.80-6 -20 -2 23.50 38.606 -20 -2 39.30 47.807 -20 0 46.10 39.407 -20 1 82.59 43.407 -20 -1 133.29 53.498 -20 0 165.48 54.198 -20 1 288.17 97.298 -20 -1 245.68 67.590 -21 0 43.60 35.300 -21 -1 145.49 48.800 -21 1 178.68 47.500 -21 -2 169.98 54.79-1 -21 0 66.99 40.301 -21 0 7.80 33.601 -21 1 102.79 36.20-1 -21 -1 70.59 42.901 -21 -1 107.19 45.50-1-21 1 130.09 40.60-1 -21 -2 -59.99 31.901 -21 -2 55.29 43.302 -21 0 135.19 47.30-2 -21 0 149.49 47.802 -21 1 1.80 29.50-2 -21 -1 27.50 38.50-2 -21 1 -42.70 28.002 -21 -1 51.39 38.10-2 -21 -2 279.77 63.792 -21 -2 272.37 67.593 -21 0 49.10 38.60-3 -21 0 22.70 34.70-3 -21 -1 423.76 77.793 -21 1 391.66 69.393 -21 -1 498.55 81.49-3 -21 1 469.75 71.69-3 -21 -2 227.88 66.093 -21 -2 400.36 78.89-3 -21 2 278.77 66.79-4 -21 0 201.88 52.594 -21 0 224.08 56.89-4 -21 -1 296.97 66.194 -21 1 233.08 53.494 -21 -1 338.87 65.69-4 -21 1 276.07 56.19-4 -21 -2 49.00 46.60-4 -21 2 53.39 35.604 -21 -2 171.38 57.59-5 -21 0 4.50 33.705 -21 0 -25.50 32.505 -21 1 110.09 47.60-5 -21 -1 238.78 59.39-5 -21 1 140.89 44.705 -21 -1 202.28 56.89-5 -21 -2 18.80 33.90-5 -21 2 72.39 37.505 -21 -2 63.99 52.99-6 -21 0 880.11 112.896 -21 0 901.01 111.696 -21 1 294.37 58.59-6 -21 -1 305.67 69.496 -21 -1 343.07 72.097 -21 0 16.30 39.707 -21 1 55.09 54.597 -21 -1 20.00 43.400 -22 0 -7.20 33.000 -22 -1 -38.70 28.700 -22 1 58.49 38.300 -22 -2 -14.10 41.701 -22 0 600.94 87.69-1 -22 0 447.46 74.99-1 -22 -1 483.85 80.991 -22 1 336.87 64.191 -22 -1 429.96 78.49-1 -22 1 341.57 67.59-1 -22 -2 -46.40 35.001 -22 -2 19.80 35.402 -22 0 2.00 34.70-2 -22 0 -39.20 29.302 -22 1 147.29 47.30-2 -22 -1 142.19 53.992 -22 -1 203.18 56.29-2 -22 1 170.28 48.60-2 -22 -2 507.35 85.292 -22 -2 357.86 80.79-3 -22 0 35.80 32.803 -22 0 57.29 41.503 -22 1 20.90 33.80-3 -22 -1 75.89 46.003 -22 -1 -19.70 40.40-3 -22 1 3.60 33.404 -22 0 6.10 38.20-4 -22 0 33.40 39.30-4 -22 -1 -8.50 37.404 -22 1 10.20 35.504 -22 -1 -16.10 38.10-4 -22 1 7.20 32.305 -22 0 31.10 39.50-5 -22 0 63.29 42.30-5 -22 -1 -32.70 35.405 -22 1 -35.50 30.905 -22 -1 -15.90 39.00-5 -22 1 64.79 39.806 -22 0 5.80 38.30-6 -22 0 34.10 30.700 -23 0 59.59 43.500 -23 -1 91.19 49.990 -23 1 191.58 52.891 -23 0 279.57 67.19-1 -23 0 349.57 70.491 -23 1 -55.99 34.80-1 -23 -1 51.89 40.101 -23 -1 -5.60 26.70-1 -23 1 22.50 33.902 -23 0 74.79 46.90-2 -23 0 161.38 50.492 -23 1 0.90 38.60-2 -23 -1 43.80 43.802 -23 -1 10.20 42.80-2 -23 1 37.50 38.403 -23 0 183.68 57.59-3 -23 0 188.98 58.093 -23 1 94.09 45.103 -23 -1 137.89 57.79-3 -23 1 290.87 59.59-4 -23 0 80.39 44.304 -23 0 216.98 57.390 0 0 0.00 0.00_computing_structure_solution“SHELXT 2014/5（Sheldrick，2014）”;_shelx _hkl校验和84103_shelx文件;TITL Alec_recoll2_09May17_0ma_a.res在P2（1）2（1）2中alec_recoll2_2017年5月9日_0ma_a.res由SHELXL-2016/6于2017年8月10日16:21:20创建手机0.71073 11.5944 17.0722 4.4739 90 90 90 90零4 0.0041 0.0054 0.0012 0 0 0LATT-1型对称-X，-Y，+ZSYMM 0.5-X，0.5+Y，-ZSYMM 0.5+X、0.5-Y、-ZSFAC C H Cl Cs N O Pd单元12 24 8 4 4 12 4EQIV$1 0.5+X，0.5-Y，1-ZDFIX 0.87 0.01 O3 H3DFIX 2 H3 O1_$1丹1.907988 0.02 C3 H3危险4.044402 0.02 Cs1 H3钻机O1 C1钻机C2 C3钻机N1钻机0.002 0.002 N1 C2EADP C2 N1EADP O3 C3L.S.10号机组平面图20温度-123.14HTAB O3 O1_$1债券$Hfmap二行为OMIT-3 50省略6 12 0省略10 7 0省略8 9 0REM（快速眼动）REM（快速眼动）REM（快速眼动）WGHT 0.000000（重量上限0.000000）自由值0.29981CS1 4 0.385239 0.103392 0.670355 11.00000 0.02397 0.01626=0.01337 -0.00199 -0.00219 0.00017PD1 7 0.287803 0.419841 0.571909 11.00000 0.00943 0.00984=0.00975 0.00001 0.00028 0.00124CL1 3 0.118049 0.429393 0.837497 11.00000 0.01466 0.02019=0.02039 -0.00217 0.00325 0.00104第3类0.349296 0.537488 0.757401 11.00000 0.01590 0.01241=0.02080 -0.00388 0.00064 -0.00176O1 6 0.247070 0.314137 0.414898 11.00000 0.00949 0.01518=0.02481 -0.00524 0.01117 -0.00285氧气6 0.313686 0.213598 0.146864 11.000000.02408 0.01303=0.02359 -0.00253 -0.01020 -0.00054臭氧6 0.541170 0.264889 0.538419 11.000000.01026 0.02191=0.01630 0.00190 0.00035 0.00179H3 2 0.617524 0.269545 0.578792 11.00000-1.50000N1 5 0.427868 0.406809 0.315898 11.000000.00780 0.01777=0.01670 -0.00140 -0.00373 0.00156AFIX第23页H1A 2 0.430153 0.446008 0.178195 11.00000-1.20000H1B 2 0.492081 0.410758 0.431882 11.00000-1.20000AFIX 0公司C1 1 0.322841 0.281136 0.244932 11.000000.00837 0.02137号=0.00705 0.00315 0.00466 -0.00116C2 1 0.428565 0.329325 0.157980 11.000000.00780 0.01777=0.01670 -0.00140 -0.00373 0.00156AFIX第13页H2 2 0.424782 0.339538-0.061897 11.00000-1.20000AFIX 0公司C3 1 0.538867 0.284724 0.221605 11.00000 0.01026 0.02191=0.01630 0.00190 0.00035 0.00179AFIX第23页H3A 2 0.541636 0.236400 0.099494 11.00000-1.20000H3B 2 0.606568 0.317387 0.170155 11.00000-1.20000AFIX 0公司HKLF 4号机组REM Alec_recoll2_09May17_0ma_a.res在P2（1）2（1）2中对于1212 Fo>4sig（Fo），REM R1=0.0387，对于所有1546数据，REM R1=0.0642使用13个约束优化REM 91参数结束WGHT 0.0000 0.0000REM最高差值峰值1.636，最深孔-1.236，1σ水平0.329第一季度0.3798 0.0589 0.8354 11.00000 0.05 1.64第2季度0.2877 0.3750 0.4575 11.00000 0.05 1.44问题3 1 0.3836 0.1513 0.7788 11.00000 0.05 1.44Q4 1 0.3544 0.4180 0.5538 11.00000 0.05 1.32Q5 1 0.2848 0.4690 0.4641 11.00000 0.05 1.26问题6 1 0.1880 0.4331 0.8533 11.00000 0.05 1.21问题7 1 0.2776 0.4633 0.7216 11.00000 0.05 1.19问题8 1 0.2759 0.3738 0.7646 11.00000 0.05 1.18问题9 1 0.4463 0.1032 0.6684 11.00000 0.05 1.15问题10 0.2824 0.3666 0.6887 11.00000 0.05 1.13问题11 1 0.4565 0.0180 0.8670 11.00000 0.05 1.08问题12 1 0.3121 0.1065 0.7764 11.00000 0.05 1.07问题13 1 0.3941 0.3098 0.1639 11.00000 0.05 1.06问题14 1 0.2841 0.5496 0.8340 11.00000 0.05 1.05问题15 1 0.6054 0.2530 0.0696 11.00000 0.05 1.05问题16 1 0.1563 0.5395 0.9596 11.00000 0.05 1.05问题17 1 0.3895 0.1572 0.6352 11.00000 0.05 1.04问题18 1 0.0452 0.4243 0.8228 11.00000 0.05 1.01问题19 1 0.5998 0.3686-0.0994 11.00000 0.05 0.99问题20 1 0.4919 0.2613 0.6009 11.00000 0.05 0.98;_搁置_校验和87742