############################################################################### ##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。 ## ##此文件可用于##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_审计_创建_方法“SHELXL-2016/6”_化学名称系统;双（哌嗪-1-鎓-\kN个^4^）双（硫代磺胺-\kS公司)二水合锌（II）;_chemical_name_common“硫代硫酸锌哌嗪”_化学式组分“[Zn（C4 H11 N2）2（S2 O3）2]，2（H2 O）”_化学公式“C8 H26 N4 O8 S4 Zn”_化学式'[Zn（C4 H11 N2）2（S2 O3）2]，2H2 O'_化学成型重量499.94_化学熔点？_搁置空间组注释;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。;_空间群晶体系统三斜晶系_space_group_name_H-M_alt“P-1”_space_group_name_Hall“-P 1”回路__空间组符号操作“x，y，z”“-x，-y，-z”_单元格长度a 8.76310（10）_单元格长度b 10.5623（2）_单元格长度c 11.6072（2）_单元格角度α113.7360（10）_单元格_角度_β98.7610（10）_单元格角度伽马91.4720（10）_单元格_卷967.49（3）_单元格_公式_单位_Z 2_单元格_测量_刷新_使用3790_单元格_测量_温度_最小值1.95_单元格_测量_高度_最大值26.00_单元格_测量_温度293（2）_exptl_crystal_description“块”_exptl_crystal_color“无色”_exptl晶体尺寸最大0.22_exptl_晶体_尺寸_最小0.18_exptl晶体尺寸最小0.16_exptl晶体密度衍射1.716_exptl晶体密度测量？_exptl晶体密度方法？_exptl_晶体_F_000 520_出口_吸收_效率_mu 1.744_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，2000）;_货架_估计_吸收T_min？_货架_估计_吸收T_max？_exptl _吸收_修正_最小0.7003_exptl_吸收_修正_最大0.7678_衍射环境温度293（2）_衍射_辐射_类型MoK\a_衍射辐射波长0.71073_衍射辐射源‘精细聚焦密封管’_衍射辐射单色石墨_diffrin_measurement_device_type“Bruker SMART APEX CCD区域探测器”_diffrn_measurement_method'\f和\w扫描'_衍射检测器面积平均值？_衍射_反射_编号19938_diffren_refns_av_R等效物0.0273_衍射_refns_theta_min 1.948_衍射_反射_热最大值33.744_diffrin_refns_theta完整25.242_差值测量分数最大值0.984_衍射_测量_分数_高度_满1.000_衍射反射极限h最小值-13_衍射反射极限h最大值13_衍射_反射_极限_k最小值-16_衍射反射极限k最大值9_衍射_反射_极限_最小值-18_衍射反射极限最大值17_细化特殊细节？_refns_number_total参考号_总计7607_参考号_gt 5927_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0.0466_细化_ls_R_系数_gt 0.0317_细化_ls_wR_factor_gt 0.0732_精炼_ls_wR_factor_ref 0.0790_精炼_ls_goodness_of_fit_ref 1.009_细化_限制_全部1.009_细化_编号_修订7607_精化_编号_参数266_精化_数量_约束0_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^）+（0.0400P）^2^]其中P=（Fo^2 ^+2Fc^2 ^）/3'_atom_sites_solution_混合氢_atom_sites_solution_primary直接_atom_sites_solution_secondary差异映射_细化_ls_shift/su_max 0.000_细化_ls_shift/su平均值0.000_精制密度最大值0.472_细化_密度_最小-0.361_refine_ls_extinction_method无_refine_ls_extinction_cef。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_原子类型分类源“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”“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”“S”“S”0.1246 0.1234“国际表格C卷表4.2.6.8和6.1.1.4”“锌”“锌”0.2839 1.4301“国际表格C卷表4.2.6.8和6.1.1.4”_计算数据收集;SMART（布鲁克，2000）;_计算单元格定义;圣特（布鲁克，2000）;_计算数据还原;SAINT（布鲁克，2000年）;_计算结构解决方案;SHELXS97（谢尔德里克，2008）;_计算结构定义;SHELXL2016/6页（Sheldrick，2015）;_计算分子图形;ORTEP-3 for Windows（Farrugia，2012）;_计算_发布_材料;SHELXL2016/6页（谢尔德里克，2015），普拉顿（斯佩克，2009）和公共IF（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锌Zn1 0.36403（2）0.36678（2）0.17364（2）0.02307（5）Uani d 1。S S1 0.19769（4）0.23705（4）-0.01347（4）0.02921（8）单位。S S2 0.28149（4）0.31755（4）-0.12806（4）0.02866（8）单位。S S3 0.31486（6）0.34577（4）0.35739（4）0.03543（10）乌阿尼。S S4 0.27051（4）0.13632（4）0.29154（4）0.02567（8）单位。O O1 0.22237（19）0.21735（14）-0.25891（12）0.0508（4）Uani d 1。氧0.22392（19）0.45077（14）-0.10572（15）0.0541（4）Uani d 1。O O3 0.44978（15）0.32601（19）-0.09909（15）0.0612（4）Uani d 1。O O4 0.40860（15）0.06807（14）0.25701（14）0.0486（3）Uani d 1。O O5 0.2234（2）0.11500（13）0.39847（14）0.0544（4）Uani d 1。O O6 0.14635（14）0.09045（13）0.18082（13）0.0435（3）Uani d 1。N N1 0.59630（14）0.33597（13）0.16071（13）0.0261（2）单位。H H1 0.627（2）0.3885（19）0.1297（18）0.033（5）Uiso d 1。编号：N2 0.86568（17）0.19550（17）0.20334（16）0.0381（3）Uani d 1。H H2AN 0.968（3）0.172（2）0.194（2）0.053（6）Uiso d 1。H H2BN 0.831（3）0.149（2）0.259（2）0.058（7）Uiso d 1。N N3 0.34859（14）0.57724（12）0.22385（12）0.0225（2）Uani d 1。H H3 0.396（2）0.5979（17）0.1754（17）0.024（4）Uiso d 1。编号：0.24360（17）0.84404（13）0.37115（13）0.0298（3）单位：。H H4AN 0.186（2）0.8219（19）0.4161（19）0.037（5）Uiso d 1。H H4BN 0.229（2）0.937（2）0.3879（19）0.043（5）Uiso d 1。C C1 0.69716（19）0.37986（18）0.28807（16）0.0381（4）Uani d 1。H H1A 0.654430 0.334114 0.335305 0.046 Uiso计算值。H H1B 0.696156 0.479233 0.335289 0.046 Uiso计算值1。C C2 0.8636（2）0.34663（19）0.2805（2）0.0454（5）单位。H H2A 0.911324 0.399270 0.241316 0.055 Uiso计算值1。H H2B 0.922320 0.372326 0.365901 0.055 Uiso计算值1。C C3 0.7752（2）0.1542（2）0.07222（18）0.0421（4）Uani d 1。H H3A 0.777441 0.055408 0.022780 0.051 Uiso计算值1。H H3B 0.821264 0.203770 0.029594 0.051 Uiso计算值1。C C4 0.60942（19）0.18742（16）0.07979（15）0.0315（3）Uani d 1。H H4A 0.552976 0.164170-0.005869 0.038 Uiso计算值1。H H4B 0.561198 0.129930 0.114233 0.038 Uiso计算值1。C C5 0.4203（2）0.66344（15）0.35818（15）0.0327（3）单位。H H5A 0.528902 0.647499 0.370824 0.039 Uiso计算值。H H5B 0.370312 0.634514 0.413833 0.039 Uiso计算值1。C C6 0.40821（19）0.81761（15）0.39612（16）0.0330（3）单位。H H6A 0.450934 0.868622 0.486215 0.040 Uiso计算值1。H H6B 0.467790 0.849836 0.347563 0.040 Uiso计算值。C C7 0.17408（19）0.76190（16）0.23399（16）0.0333（3）单位。H H7A 0.227849 0.791358 0.180529 0.040 Uiso计算值。H H7B 0.065948 0.778454 0.219288 0.040 Uiso计算值1。C C8 0.18624（17）0.60873（15）0.19857（16）0.0308（3）Uani d 1。H H8A 0.124751 0.578258 0.247102 0.037 Uiso计算值。H H8B 0.143694 0.557112 0.108512 0.037 Uiso计算值。O O10 0.72416（18）0.05969（17）0.32966（15）0.0460（3）Uani d 1。H H10A 0.629（4）0.060（3）0.303（3）0.098（11）Uiso d 1。H H10B 0.742（3）-0.015（3）0.313（3）0.074（10）Uiso d 1。O O20-0.01440（19）0.7318（2）0.44092（18）0.0557（4）Uani d 1。H H20A-0.082（4）0.729（3）0.383（3）0.092（11）Uiso d 1。H H20B-0.048（3）0.776（3）0.497（3）0.070（9）Uiso d 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_现场_日产_U_12_原子_现场_日产_U_13_原子_现场_日产_U_23锌1 0.02461（8）0.02117（8）002345（8）0.00381（6）0.00452（6）.00900（6）S1 0.02902（18）0.03198（19）0.02573（17）-0.00689（14）0.00212（13）0.01250（15）S2 0.02756（17）0.0354（2）0.02670（18）0.00130（14）0.00454（13）0.01668（15）S3 0.0560（3）0.02537（18）0.02544（18）-0.00262（17）0.01059（17）0.01015（15）S4 0.02671（16）0.02414（17）0.03090（18）0.00813（13）0.01197（13）0.01 342（14）O1 0.0746（10）0.0502（8）0.0237（6）0.0060（7）0.0030（6）0.0132（5）氧气0.0744（10）0.0403（7）0.0630（9）0.0151（7）0.0259（8）0.0316（7）臭氧0.0291（6）0.1148（13）0.0692（10）-0.0021（7）0.0074（6）0.0689（10）O4 0.0356（7）0.0524（8）0.0618（9）0.0251（6）0.0179（6）0.0229（7）O5 0.0985（12）0.0319（6）0.0513（8）0.0170（7）0.0449（8）0.0242（6）O6 0.0308（6）0.0364（7）0.0466（7）0.0042（5）0.0010（5）.0021（5）N1 0.0255（6）0.0260（6）00290（6）0.0060（5）0.0052（5）0.0132（5）氮气0.0270（7）0.0479（9）0.0476（9）0.0152（6）0.0120（6）0.0253（7）N3 0.0239（5）0.0217（5）00234（6）0.0036（4）0.0068（4）.0097（5）N4 0.0379（7）0.0219（6）0.0331（7）0.0078（5）0.0141（6）0.0119（5）C1 0.0325（8）0.0364（9）0.0334（8）0.0085（7）-0.0011（6）0.0040（7）C2 0.0257（8）0.0450（10）0.0570（12）0.0036（7）-0.0024（8）0.0156（9）C3 0.0425（9）0.0500（11）0.0373（9）0.0219（8）0.0164（7）0.0172（8）C4 0.0335（8）0.0311（8）0.0273（7）0.0101（6）0.0061（6）.0087（6）C5 0.0377（8）0.0255（7）0.0294（7）0.0066（6）-0.0024（6）0.0085（6）C6 0.0351（8）0.0231（7）0.0342（8）0.0025（6）0.0018（6）.0065（6）C7 0.0349（8）0.0307（8）00336（8）0.0105（6）0.0027（6）0.0133（6）C8 0.0248（7）0.0269（7）0.0361（8）0.0044（5）0.0028（6）0.0091（6）O10 0.0428（8）0.0457（8）00492（8）0.0068（6）0.0067（6）0.0197（7）O20 0.0445（8）0.0857（12）0.0441（9）0.0215（8）0.0168（7）0.0300（9）_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Zn1 N3。2.0727(12) ?Zn1 N1。2.0879(13) ?锌1 S1。2.2927(4) ?锌1 S3。2.3324(4) ?S1 S2。2.0511(5) ?S2氧气。1.4437(14) ?S2 O3。1.4539(14) ?S2 O1。1.4606(13) ?S3 S4。2.0332(5) ?S4 O4。1.4507(12) ?S4 O6。1.4546(13) ?S4 O5。1.4623(13) ?N1 C1。1.487(2) ?N1 C4。1.4876(19) ?N1 H1。0.83(2) ?N2 C2。1.485(2) ?N2个C3。1.489(2) ?N2 H2AN。0.95(2) ?N2 H2BN。0.93(2) ?N3 C5号。1.4779(19) ?N3 C8。1.4820(18) ?编号3 H3。0.837(18) ?N4 C6号。1.484(2) ?N4 C7号。1.491(2) ?N4 H4AN。0.87(2) ?N4 H4BN号。0.93(2) ?C1 C2。1.516(2) ?C1 H1A。0.9700 ?C1 H1B。0.9700 ?C2 H2A。0.9700 ?C2 H2B。0.9700 ?C3 C4。1.510(2) ?C3 H3A。0.9700 ?C3 H3B。0.9700 ?C4 H4A。0.9700 ?C4 H4B。0.9700 ?C5 C6。1.518(2) ?C5 H5A。0.9700 ?C5 H5B。0.9700 ?C6 H6A。0.9700 ?C6 H6B。0.9700 ?C7至C8。1.511(2) ?C7 H7A。0.9700 ?C7 H7B。0.9700 ?C8 H8A。0.9700 ?C8 H8B。0.9700 ?上午10点10分。0.85(3) ?O10 H10B。0.76(3) ?O20 H20A。0.81(3) ?O20 H20B。0.74(3) ?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_位置_对称_1_地理角度场地对称3_地理角度_地理角度ubl标志N3 Zn1 N1。105.78(5) ?N3 Zn1 S1。110.79(3) ?N1锌1 S1。112.90(4) ?N3 Zn1 S3。101.24(4) ?N1锌1 S3。108.21(4) ?S1锌1 S3。116.788(16) ?S2 S1 Zn1。98.167(18) ?氧气S2 O3。112.85(10) ?氧气S2 O1。110.61(9) ?O3 S2 O1。111.04(10) ?氧气S2 S1。109.71(6) ?O3 S2 S1。107.00(6) ?O1 S2 S1。105.27(6) ?S4 S3锌1。101.05(2) ?O4 S4 O6。110.47(8) ?4到4到5。111.17(9) ?O6 S4 O5。112.02(9) ?O4 S4 S3。110.45(6) ?O6 S4 S3..系列。108.00(6) ?O5 S4 S3..系列。104.53(5) ?C1 N1 C4。110.39(12) ?C1 N1 Zn1。112.60(10) ?C4 N1 Zn1。109.65(9) ?C1 N1 H1。105.4(13) ?C4 N1 H1。112.1(13) ?Zn1 N1 H1。106.6(13) ?C2氮气C3。110.50(14) ?C2 N2 H2AN。111.5(13) ?C3 N2 H2AN。107.0(14) ?C2 N2 H2BN。107.5(14) ?C3 N2 H2BN。114.4(14) ?2亿2千万。106.1(19) ?C5 N3 C8。110.20(12) ?C5 N3 Zn1。112.71(9) ?C8 N3锌1。111.95(9) ?C5 N3 H3。109.2(12) ?C8 N3 H3。106.3(12) ?Zn1 N3 H3。106.2(12) ?C6 N4 C7。110.40(12) ?C6 N4 H4AN。113.4(13) ?C7 N4 H4AN。107.0(13) ?C6 N4 h4亿。114.3(13) ?C7 N4 h4亿。106.1(13) ?H4AN N4 H4BN。105.1(17) ?N1 C1 C2。113.43(15) ?N1 C1 H1A。108.9 ?C2 C1 H1A。108.9 ?N1 C1 H1B。108.9 ?C2 C1 H1B。108.9 ?H1A C1 H1B。107.7 ?N2 C2 C1。109.22(14) ?氮气C2 H2A。109.8 ?C1 C2 H2A。109.8 ?N2 C2 H2B。109.8 ?C1 C2 H2B。109.8 ?H2A C2 H2B。108.3 ?N2 C3 C4。109.77(14) ?N2 C3 H3A。109.7 ?C4 C3 H3A。109.7 ?N2 C3 H3B。109.7 ?C4 C3 H3B。109.7 ?H3A C3 H3B。108.2 ?N1 C4 C3。113.09(14) ?N1 C4 H4A。109.0 ?C3 C4 H4A。109.0 ?N1 C4 H4B。109.0 ?C3 C4 H4B。109.0 ?H4A C4 H4B。107.8 ?N3 C5 C6。113.06(12) ?N3 C5 H5A。109.0 ?C6 C5 H5A。109.0 ?N3 C5 H5B。109.0 ?C6 C5 H5B。109.0 ?H5A C5 H5B。107.8 ?N4 C6 C5。110.10(13) ?N4 C6 H6A。109.6 ?C5 C6 H6A。109.6 ?N4 C6 H6B。109.6 ?C5 C6 H6B。109.6 ?H6A C6 H6B。108.2 ?N4 C7 C8。110.19(13) ?N4 C7 H7A。109.6 ?C8 C7 H7A。109.6 ?N4 C7 H7B。109.6 ?C8 C7 H7B。109.6 ?H7A C7 H7B。108.1 ?N3 C8 C7。112.29(12) ?N3 C8 H8A。109.1 ?C7 C8 H8A。109.1 ?N3 C8 H8B。109.1 ?C7 C8 H8B。109.1 ?H8A C8 H8B。107.9 ?H10A O10 H10B。109(3) ?H20A O20 H20B。100(3) ?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C4 N1 C1 C2。52.0(2) ?Zn1 N1 C1 C2。174.88(12) ?C3 N2 C2 C1。59.1(2) ?N1 C1 C2 N2-56.1(2) ?C2 N2 C3 C4-59.4(2) ?C1 N1 C4 C3-51.76(19) ?Zn1 N1 C4 C3-176.37(11) ?N2 C3 C4 N1。56.0(2) ?C8 N3 C5 C6-53.62(19) ?Zn1 N3 C5 C6-179.47(11) ?C7 N4 C6 C5-57.01(18) ?N3 C5 C6 N4。55.66(19) ?C6 N4 C7 C8。58.03(18) ?C5 N3 C8 C7。54.16(18) ?Zn1 N3 C8 C7-179.56(11) ?N4 C7 C8 N3-56.96(19) ?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_geom_hbond_dinstance_DA地理位置_geom_hbond_angle_DHA_geom_hbond_publ标志N1 H1 O2 2_665 0.83（2）2.25（2）3.041（2）160（2）是N2 H2AN O6 1_655 0.95（3）1.80（3）2.730（2）166（2）是20亿纳米比亚元10亿纳米比亚元。0.93（2）1.89（2）2.811（3）170（2）是N3 H3 O3 2_665 0.84（2）2.03（2）2.853（2）166（2）是N4 H4AN O20。0.87（2）2.09（2）2.892（2）154（2）是N4 H4BN O5 1_565 0.94（2）1.84（2”2.763（2）169（2）是O10 H10A O4。0.85（3）1.94（4）2.780（2）175（3）是O10 H10B O1 2_655 0.76（3）2.02（3）2.777（2）176（4）是O20 H20A O1 2_565 0.82（3）2.02（2）2.804（2）163（3）是O20 H20B O5 2_566 0.74（3）2.17（3）2.866（2）158（3）是C3 H3A O6 2_655 0.97 2.45 3.221（2）136是C4 H4A臭氧。0.97 2.49 3.175（3）128是C4 H4B O4。0.97 2.54 3.463（2）159是C5 H5B S3。0.97 2.86 3.453（2）120是C8 H8B氧气。0.97 2.50 3.318（2）142是_shelx _ hkl文件;-1 0 0 126.08 2.61-1 0 0 133.76 2.661 0 0 127.73 2.63-2 0 0 541.38 10.69-2 0 0 516.04 10.572 0 0 514.45 10.71-3 0 0 27.39 0.703 0 0 27.91 0.70-4 0 0 4.67 0.25-4 0 0 4.97 0.29-5 0 0 32.85 0.87-5 0 0 29.97 0.925 0 0 30.14 0.86-6 0 0 0.11 0.13-6 0 0 -0.03 0.096 0 0 0.08 0.11-7 0 0 0.51 0.20-7 0 0 0.60 0.177 0 0 0.39 0.15-8 0 0 4.35 0.34-8 0 0 4.85 0.428 0 0 3.62 0.33-9 0 0 5.17 0.47-9 0 0 5.02 0.409 0 0 5.04 0.41-10 0 0 -0.01 0.19-10 0 0 -0.06 0.1310 0 0 -0.06 0.15-11 0 0 6.12 0.48-11 0 0 5.35 0.5611 0 0 5.01 0.48-12 0 0 2.60 0.38-12 0 0 2.41 0.32-12 0 0 3.60 0.5312 0 0 2.63 0.42-13 0 0 1.76 0.35-13 0 0 0.91 0.36-13 0 0 1.35 0.2913 -1 0 2.17 0.44-13 1 0 2.75 0.40-13 1 0 2.44 0.3412 -1 0 11.21 0.72-12 1 0 8.93 0.61-12 1 0 11.10 0.8011 -1 0 0.17 0.20-11 1 0 -0.08 0.17-11 1 0 0.02 0.2210 -1 0 5.52 0.46-10 1 0 4.70 0.41-10 1 0 5.95 0.549 -1 0 -0.29 0.10-9 1 0 -0.08 0.15-9 1 0 0.18 0.148 -1 0 0.76 0.20-8 1 0 1.29 0.26-8 1 0 0.96 0.207 -1 0 23.34 0.80-7 1 0 24.15 0.88-7 1 0 21.80 0.756 -1 0 8.49 0.426 -1 0 8.87 0.25-6 1 0 9.28 0.425 -1 0 0.56 0.135 -1 0 0.72 0.07-5 1 0 0.64 0.13-5 1 0 0.56 0.14-4 1 0 135.70 2.89-4 1 0 129.46 2.783 -1 0 255.00 5.12-3 1 0 250.61 5.16-3 1 0 252.60 5.622 -1 0 63.14 1.332 -1 0 63.88 1.37-2 1 0 64.10 1.401 -1 0 292.56 6.451 -1 0 289.19 6.021 -1 0 287.55 5.77-1 1 0 297.11 5.98-1 1 0 295.68 6.350 -1 0 27.93 0.630 -1 0 27.58 0.570 -1 0 25.90 0.630 1 0 26.95 0.63-1 -1 0 27.59 0.66-1 -1 0 29.38 0.64-1 -1 0 28.76 0.64-1 -1 0 27.92 0.631 1 0 28.65 0.661 1 0 28.69 0.62-2 -1 0 17.17 0.42-2 -1 0 16.41 0.46-2 -1 0 16.43 0.45-2 -1 0 17.37 0.43-2 -1 0 16.67 0.412 1 0 16.86 0.442 1 0 16.82 0.42-3 -1 0 0.56 0.11-3 -1 0 0.27 0.083 1 0 0.51 0.093 1 0 0.44 0.05-4 -1 0 4.55 0.25-4 -1 0 5.21 0.294 1 0 4.52 0.25-5 -1 0 0.22 0.10-5 -1 0 0.36 0.135 1 0 0.37 0.11-6 -1 0 31.43 0.93-6 -1 0 31.42 1.006 1 0 30.23 0.92-7 -1 0 3.06 0.29-7 -1 0 3.15 0.337 1 0 3.32 0.30-8 -1 0 1.02 0.25-8 -1 0 0.96 0.228 1 0 0.98 0.21-9 -1 0 3.19 0.40-9 -1 0 2.37 0.30-9 -1 0 3.57 0.309 1 0 2.60 0.32-10 -1 0 7.68 0.61-10 -1 0 8.66 0.48-10 -1 0 8.31 0.55-11 -1 0 4.83 0.56-11 -1 0 4.52 0.38-11 -1 0 4.63 0.4611 1 0 5.28 0.50-12 -1 0 1.78 0.36-12 -1 0 2.14 0.45-12 -1 0 2.87 0.34-13 -1 0 2.34 0.41-13 -1 0 1.65 0.4513 -2 0 3.07 0.4713 -2 0 2.65 0.42-13 2 0 2.68 0.3912 -2 0 0.15 0.22-12 2 0 0.07 0.24-12 2 0 0.01 0.1911 -2 0 1.53 0.32-11 2 0 1.82 0.30-11 2 0 1.36 0.3510 -2 0 0.13 0.18-10 2 0 0.09 0.20-10 2 0 0.18 0.169 -2 0 4.29 0.40-9 2 0 3.81 0.34-9 2 0 4.21 0.448 -2 0 13.23 0.62-8 2 0 13.18 0.68-8 2 0 13.84 0.597 -2 0 0.58 0.17-7 2 0 0.49 0.16-7 2 0 0.91 0.226 -2 0 11.89 0.516 -2 0 13.07 0.36-6 2 0 12.94 0.50-6 2 0 12.15 0.565 -2 0 0.24 0.065 -2 0 0.29 0.11-5 2 0 0.33 0.124 -2 0 43.10 1.044 -2 0 41.71 0.94-4 2 0 40.81 0.94-4 2 0 40.97 1.083 -2 0 0.23 0.083 -2 0 0.05 0.05-3 2 0 0.15 0.08-3 2 0 0.18 0.052 -2 0 183.71 3.662 -2 0 183.09 3.702 -2 0 175.53 3.542 -2 0 177.44 3.86-2 2 0 183.60 3.681 -2 0 44.44 0.931 -2 0 45.26 0.991 -2 0 42.96 1.011 -2 0 44.36 1.021 -2 0 43.85 0.92-1 2 0 42.61 0.930 -2 0 282.06 5.830 -2 0 262.84 6.100 -2 0 289.55 6.720 -2 0 300.62 6.820 -2 0 297.54 5.700 -2 0 297.64 6.00-1 -2 0 14.99 0.42-1 -2 0 15.20 0.37-1 -2 0 14.64 0.44-1 -2 0 13.54 0.39-1 -2 0 14.18 0.411 2 0 14.57 0.35-2 -2 0 66.56 1.51-2 -2 0 63.39 1.44-2 -2 0 65.97 1.35-2 -2 0 69.57 1.46-2 -2 0 67.68 1.472 2 0 66.99 1.42-3 -2 0 6.67 0.25-3 -2 0 6.77 0.30-3 -2 0 6.96 0.31-3 -2 0 6.98 0.26-3 -2 0 7.10 0.283 2 0 6.88 0.27-4 -2 0 8.53 0.32-4 -2 0 8.61 0.39-4 -2 0 8.22 0.364 2 0 8.79 0.35-5 -2 0 27.21 0.83-5 -2 0 28.70 0.88-5 -2 0 27.42 0.735 2 0 28.23 0.81-6 -2 0 3.04 0.28-6 -2 0 3.70 0.32-6 -2 0 4.08 0.256 2 0 3.35 0.27-7 -2 0 0.22 0.15-7 -2 0 0.15 0.11-7 -2 0 0.08 0.137 2 0 0.11 0.12-8 -2 0 1.66 0.21-8 -2 0 1.94 0.31-8 -2 0 1.76 0.268 2 0 1.84 0.26-9 -2 0 6.93 0.40-9 -2 0 5.74 0.45-9 -2 0 6.56 0.529 2 0 5.66 0.44-10 -2 0 6.30 0.48-10 -2 0 5.25 0.53-10 -2 0 6.10 0.4210 2 0 7.16 0.51-11 -2 0 0.04 0.15-11 -2 0 0.16 0.25-11 -2 0 0.10 0.20-12 -2 0 1.35 0.28-12 -2 0 1.23 0.33-12 -2 0 0.83 0.35-13 -2 0 0.10 0.23-13 -2 0 0.35 0.3413 -3 0 0.15 0.2513 -3 0 0.35 0.26-13 3 0 0.00 0.1912 -3 0 1.40 0.3312 -3 0 2.51 0.41-12 3 0 1.93 0.3311 -3 0 -0.13 0.18-11 3 0 0.20 0.25-11 3 0 0.24 0.1910 -3 0 0.60 0.24-10 3 0 0.88 0.28-10 3 0 1.27 0.259 -3 0 4.16 0.38-9 3 0 4.38 0.44-9 3 0 3.16 0.328 -3 0 0.31 0.17-8 3 0 0.62 0.18-8 3 0 0.49 0.207 -3 0 10.06 0.50-7 3 0 10.53 0.48-7 3 0 9.86 0.546 -3 0 14.40 0.576 -3 0 15.14 0.45-6 3 0 15.29 0.625 -3 0 30.41 0.775 -3 0 30.27 0.87-5 3 0 32.16 0.934 -3 0 60.39 1.374 -3 0 62.39 1.394 -3 0 61.34 1.42-4 3 0 59.18 1.453 -3 0 259.24 5.283 -3 0 260.27 5.133 -3 0 259.25 5.573 -3 0 266.39 5.34-3 3 0 260.11 5.322 -3 0 0.62 0.092 -3 0 0.49 0.082 -3 0 0.60 0.092 -3 0 0.88 0.08-2 3 0 0.65 0.081 -3 0 75.72 1.661 -3 0 73.98 1.541 -3 0 76.91 1.541 -3 0 74.56 1.701 -3 0 73.52 1.711 -3 0 75.72 1.55-1 3 0 72.89 1.540 -3 0 57.88 1.350 -3 0 60.28 1.290 -3 0 58.31 1.380 -3 0 57.26 1.390 -3 0 61.13 1.300 -3 0 59.67 1.24-1 -3 0 110.24 2.24-1 -3 0 106.69 2.34-1 -3 0 110.46 2.42-1 -3 0 111.35 2.22-1 -3 0 110.42 2.21-1 -3 0 105.03 2.431 3 0 107.07 2.21-2 -3 0 48.98 1.06-2 -3 0 48.17 1.14-2 -3 0 50.54 1.12-2 -3 0 49.29 1.18-2 -3 0 47.74 1.19-2 -3 0 50.03 1.242 3 0 48.98 1.08-3 -3 0 26.91 0.74-3 -3 0 27.52 0.75-3 -3 0 28.88 0.76-3 -3 0 27.32 0.68-3 -3 0 26.50 0.753 3 0 27.39 0.70-4 -3 0 45.06 1.18-4 -3 0 47.20 1.20-4 -3 0 46.95 1.16-4 -3 0 46.62 1.084 3 0 46.77 1.13-5 -3 0 0.93 0.18-5 -3 0 1.35 0.16-5 -3 0 1.10 0.185 3 0 1.34 0.17-6 -3 0 9.01 0.47-6 -3 0 8.00 0.46-6 -3 0 8.90 0.396 3 0 8.69 0.43-7 -3 0 7.38 0.38-7 -3 0 6.65 0.45-7 -3 0 6.59 0.437 3 0 6.84 0.41-8 -3 0 0.88 0.25-8 -3 0 0.89 0.18-8 -3 0 0.85 0.228 3 0 0.76 0.20-9 -3 0 9.27 0.58-9 -3 0 9.17 0.61-9 -3 0 9.03 0.48-10 -3 0 -0.01 0.21-10 -3 0 0.36 0.21-10 -3 0 0.15 0.16-11 -3 0 3.19 0.48-11 -3 0 4.50 0.47-11 -3 0 4.46 0.40-12 -3 0 0.77 0.28-12 -3 0 0.18 0.28-12 -3 0 0.28 0.2113 -4 0 -0.10 0.2113 -4 0 -0.10 0.2312 -4 0 0.50 0.2712 -4 0 0.91 0.29-12 4 0 0.74 0.2511 -4 0 1.75 0.3411 -4 0 1.53 0.31-11 4 0 1.68 0.3010 -4 0 3.46 0.3810 -4 0 2.94 0.37-10 4 0 3.11 0.339 -4 0 4.94 0.429 -4 0 4.65 0.41-9 4 0 4.28 0.36-9 4 0 5.95 0.508 -4 0 6.84 0.448 -4 0 6.72 0.43-8 4 0 5.85 0.40-8 4 0 7.50 0.517 -4 0 1.06 0.207 -4 0 1.06 0.20-7 4 0 0.83 0.216 -4 0 0.54 0.156 -4 0 0.58 0.136 -4 0 0.42 0.14-6 4 0 0.45 0.175 -4 0 0.37 0.125 -4 0 0.20 0.115 -4 0 0.14 0.09-5 4 0 0.13 0.114 -4 0 48.32 1.164 -4 0 48.50 1.184 -4 0 48.01 1.18-4 4 0 49.23 1.223 -4 0 21.38 0.583 -4 0 21.26 0.633 -4 0 22.17 0.643 -4 0 21.32 0.58-3 4 0 21.58 0.602 -4 0 0.74 0.082 -4 0 0.66 0.122 -4 0 0.83 0.122 -4 0 0.74 0.10-2 4 0 0.77 0.081 -4 0 315.97 6.341 -4 0 309.47 6.731 -4 0 319.87 6.111 -4 0 318.36 6.461 -4 0 313.01 6.621 -4 0 308.20 6.370 -4 0 281.11 5.860 -4 0 257.96 5.900 -4 0 282.77 5.370 -4 0 275.01 5.68-1 -4 0 9.33 0.33-1 -4 0 8.94 0.36-1 -4 0 8.69 0.37-1 -4 0 8.70 0.24-1 -4 0 8.70 0.38-1 -4 0 8.84 0.26-2 -4 0 86.47 1.86-2 -4 0 85.71 2.05-2 -4 0 87.76 1.99-2 -4 0 84.04 2.022 4 0 88.67 1.81-3 -4 0 120.41 2.79-3 -4 0 124.43 2.73-3 -4 0 123.20 2.50-3 -4 0 121.34 2.67-3 -4 0 127.24 2.66-3 -4 0 120.87 2.853 4 0 125.61 2.59-4 -4 0 7.70 0.38-4 -4 0 7.34 0.33-4 -4 0 7.52 0.37-4 -4 0 7.28 0.374 4 0 7.42 0.32-5 -4 0 18.17 0.60-5 -4 0 18.89 0.66-5 -4 0 18.01 0.68-5 -4 0 19.51 0.695 4 0 19.59 0.63-6 -4 0 3.16 0.26-6 -4 0 2.58 0.28-6 -4 0 2.53 0.286 4 0 2.32 0.23-7 -4 0 0.23 0.17-7 -4 0 0.23 0.13-7 -4 0 0.40 0.187 4 0 0.40 0.15-8 -4 0 13.05 0.57-8 -4 0 14.21 0.71-8 -4 0 13.84 0.68-9 -4 0 0.50 0.18-9 -4 0 0.07 0.20-9 -4 0 0.47 0.22-10 -4 0 5.78 0.56-10 -4 0 5.95 0.44-10 -4 0 5.11 0.50-11 -4 0 1.39 0.37-11 -4 0 1.51 0.35-11 -4 0 0.82 0.25-12 -4 0 0.29 0.27-12 -4 0 0.15 0.18-12 -4 0 0.10 0.2813 -5 0 1.60 0.4013 -5 0 1.79 0.3912 -5 0 7.23 0.6112 -5 0 4.55 0.5011 -5 0 0.75 0.2611 -5 0 0.33 0.23-11 5 0 0.83 0.2310 -5 0 11.08 0.6410 -5 0 11.02 0.65-10 5 0 11.45 0.609 -5 0 4.97 0.419 -5 0 4.36 0.41-9 5 0 4.27 0.378 -5 0 0.38 0.188 -5 0 0.54 0.207 -5 0 21.42 0.777 -5 0 23.93 0.727 -5 0 22.04 0.80-7 5 0 22.22 0.856 -5 0 22.42 0.766 -5 0 23.27 0.726 -5 0 22.84 0.75-6 5 0 22.75 0.815 -5 0 52.19 1.305 -5 0 50.65 1.285 -5 0 51.33 1.30-5 5 0 51.52 1.344 -5 0 218.74 4.574 -5 0 221.69 4.674 -5 0 221.01 4.47-4 5 0 224.14 4.603 -5 0 4.73 0.293 -5 0 4.37 0.223 -5 0 4.33 0.243 -5 0 4.17 0.26-3 5 0 3.95 0.212 -5 0 78.74 1.702 -5 0 78.50 1.902 -5 0 80.80 1.862 -5 0 81.78 1.702 -5 0 77.91 1.67-2 5 0 77.83 1.661 -5 0 25.21 0.781 -5 0 25.81 0.781 -5 0 25.43 0.571 -5 0 25.78 0.581 -5 0 26.01 0.781 -5 0 24.53 0.650 -5 0 4.29 0.290 -5 0 4.14 0.270 -5 0 4.50 0.230 -5 0 4.75 0.31-1 -5 0 10.71 0.47-1 -5 0 10.34 0.46-1 -5 0 10.65 0.28-1 -5 0 10.38 0.29-1 -5 0 10.96 0.39-1 -5 0 10.14 0.43-2 -5 0 73.66 1.56-2 -5 0 76.07 1.61-2 -5 0 73.68 1.81-2 -5 0 71.06 1.83-2 -5 0 72.62 1.79-3 -5 0 0.83 0.13-3 -5 0 1.10 0.21-3 -5 0 0.81 0.15-3 -5 0 0.81 0.173 5 0 0.70 0.10-4 -5 0 13.50 0.55-4 -5 0 12.74 0.61-4 -5 0 12.88 0.50-4 -5 0 13.27 0.564 5 0 13.69 0.45-5 -5 0 0.97 0.24-5 -5 0 0.70 0.19-5 -5 0 0.51 0.17-5 -5 0 0.77 0.16-5 -5 0 0.58 0.175 5 0 1.07 0.16-6 -5 0 -0.04 0.12-6 -5 0 0.27 0.15-6 -5 0 0.10 0.11-7 -5 0 19.50 0.81-7 -5 0 19.09 0.81-7 -5 0 18.49 0.70-8 -5 0 0.03 0.17-8 -5 0 0.16 0.19-8 -5 0 0.39 0.17-9 -5 0 12.10 0.70-9 -5 0 11.57 0.59-9 -5 0 11.34 0.71-10 -5 0 5.39 0.55-10 -5 0 5.96 0.46-10 -5 0 5.20 0.52-11 -5 0 0.01 0.24-11 -5 0 -0.08 0.16-11 -5 0 0.20 0.26-12 -5 0 1.74 0.34-12 -5 0 0.76 0.35-12 -5 0 1.28 0.3512 -6 0 0.35 0.2612 -6 0 0.33 0.2511 -6 0 0.27 0.2111 -6 0 0.13 0.22-11 6 0 0.20 0.2010 -6 0 0.09 0.1910 -6 0 0.30 0.19-10 6 0 -0.07 0.189 -6 0 0.21 0.179 -6 0 0.17 0.17-9 6 0 0.30 0.188 -6 0 6.76 0.468 -6 0 6.49 0.447 -6 0 5.23 0.387 -6 0 6.53 0.387 -6 0 5.64 0.396 -6 0 10.14 0.476 -6 0 10.06 0.486 -6 0 10.53 0.485 -6 0 73.89 1.735 -6 0 75.77 1.835 -6 0 71.98 1.744 -6 0 0.08 0.104 -6 0 0.20 0.134 -6 0 0.10 0.10-4 6 0 -0.03 0.093 -6 0 100.88 2.353 -6 0 100.02 2.143 -6 0 101.07 2.16-3 6 0 99.70 2.132 -6 0 39.60 1.142 -6 0 40.15 0.912 -6 0 42.26 0.942 -6 0 42.00 1.182 -6 0 40.27 1.152 -6 0 39.78 0.991 -6 0 48.39 1.341 -6 0 49.10 1.331 -6 0 49.28 1.041 -6 0 48.15 1.331 -6 0 50.58 1.051 -6 0 49.45 1.150 -6 0 17.44 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0.02167号0.02338 0.00974 0.00679 0.00357华2 0.395761 0.597937 0.175402 11.000000.02434N4 3 0.243598 0.844040 0.371154 11.00000 0.03787 0.02189号0.03307 0.01192 0.01411 0.00780H4AN 2 0.186252 0.821940 0.416061 11.000000.03656H4BN 2 0.228792 0.936593 0.387946 11.000000.04306号C1 1 0.697157 0.379865 0.288066 11.00000 0.03248 0.036360.03337 0.00403 -0.00107 0.00852AFIX第23页H1A 2 0.654430 0.334114 0.335305 11.00000-1.20000H1B 2 0.696156 0.479233 0.335289 11.00000-1.20000AFIX 0C2 1 0.863635 0.346631 0.280542 11.000000.02571 0.044960.05696 0.01558 -0.00240 0.00360AFIX第23页H2A 2 0.911324 0.399270 0.241316 11.00000-1.20000H2B 2 0.922320 0.372326 0.365901 11.00000-1.20000AFIX 0公司C3 1 0.775155 0.154191 0.072220 11.000000.04248 0.050010.03729 0.01717 0.01640 0.02188AFIX第23页H3A 2 0.777441 0.055408 0.022780 11.00000-1.20000H3B 2 0.821264 0.203770 0.029594 11.00000-1.20000AFIX 0公司C4 1 0.609424 0.187421 0.079789 11.00000 0.03346 0.031090.02733 0.00870 0.00608 0.01006AFIX第23页H4A 2 0.552976 0.164170-0.005869 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11.000000.09808H10B 2 0.742405-0.014947 0.312785 11.000000.07432O20 4-0.014400 0.731832 0.440915 11.000000.04453 0.08575号0.04408 0.03001 0.01683 0.02149H20A 2-0.081569 0.729174 0.383103 11.000000.09187H20B 2-0.048400 0.775891 0.497270 11.000000.06985HKLF 4号机组REM I P-1 R 0.025927 Fo>4sig（Fo）时REM R1=0.0317，所有7607数据时为0.0466使用0约束优化REM 266参数结束重量0.0400 0.0000REM潜在氢键说明HTAB N1 O2_$1HTAB N2 S4_ 2美元HTAB N2 O6_ 2美元HTAB N2 O10型HTAB N3 O3_ 1美元HTAB N4 O20号HTAB N4 S4_ 3美元HTAB N4 O5_ 3美元HTAB C1 S3型HTAB C3 O6_4美元HTAB C4 O3公司HTAB C4 O4HTAB C5 S3型HTAB C7 S1_5美元HTAB C7 O1_$5HTAB C8氧气HTAB O10 O4型HTAB O10 S2_4美元HTAB O10 O1_ 4美元HTAB O20 O1_ 5美元20欧元兑5欧元兑6美元REM最高差值峰值0.472，最深孔-0.361，1σ水平0.070第一季度0.3836 0.3127 0.3463 11.00000 0.05 0.47问题2 1 0.4190 0.4004-0.0621 11.00000 0.05 0.47问题3 1 0.3162 0.3802 0.1151 11.00000 0.05 0.46问题4 1 0.2008 0.1240 0.2391 11.00000 0.05 0.42问题5 1 0.4455 0.3386 0.1751 11.00000 0.05 0.42问题6 1 0.4094 0.3737 0.2471 11.00000 0.05 0.41问题7 1 0.6949 0.1758 0.0863 11.00000 0.05 0.41问题8 1 0.1331 0.0766 0.2335 11.00000 0.05 0.40问题9 1 0.3935 0.7382 0.3760 11.00000 0.05 0.38问题10 1 0.3166 0.2201-0.2447 11.00000 0.05 0.37问题11 1 0.3701 0.2860 0.1457 11.00000 0.05 0.35问题12 1 0.3634 0.1142 0.2981 11.00000 0.05 0.34问题13 1 0.2168 0.1081 0.3377 11.00000 0.05 0.33问题14 1 0.1527 0.3941-0.1752 11.00000 0.05 0.33第15季度1 0.1806 0.6820 0.2067 11.00000 0.05 0.31问题16 1 0.2550 0.2958-0.0424 11.00000 0.05 0.30问题17 1 0.7777 0.3621 0.2729 11.00000 0.05 0.30问题18 1 0.4213 0.4242 0.1326 11.00000 0.05 0.29问题19 1 0.3995 0.1014 0.2094 11.00000 0.05 0.29Q20 1 0.4329 0.0926 0.3205 11.00000 0.05 0.29问题21 1 0.3630 0.3573 0.4323 11.00000 0.05 0.29问题22 1 0.2795 0.3817 0.1647 11.00000 0.05 0.29问题23 1 0.2627 0.3441 0.3043 11.00000 0.05 0.28问题24 1 0.8233 0.1660 0.1287 11.00000 0.05 0.28问题25 1 0.2373 0.3815-0.1048 11.00000 0.05 0.27问题26 1 0.4059 0.2999-0.1520 11.00000 0.05 0.27问题27 1 0.2817 0.2016-0.0182 11.00000 0.05 0.27问题28 1 0.3622 0.3122-0.1068 11.00000 0.05 0.26问题29 1 0.1905 0.3034 0.0019 11.00000 0.05 0.26问题30 1 0.4425 0.1364-0.0445 11.00000 0.05 0.25;_shelx_res_校验和60545data_全局_2017-10-27年电子杂志日期_日记_日期_接受日期2018-01-09_journal_name_full“结晶学报，E部分”_2018年日志_日志_卷74_期刊_第2期_日志页面首页176_日志页面最新179_日志_个人_分类GM_日志_纸张_日期10.1107/S2056989018000555_日记_编辑_代码CQ2022_publ_contact_author_name“Avijit Kumar Paul”_公共联系人作者地址;库鲁克谢特拉国立理工学院化学系，哈里亚纳邦136 119，印度;_发布_联系人_作者_邮件apaul@nitkkr.ac.in_publ_contact_author_phone'0091-1744-233554'_公共_部分_标题;晶体结构双（哌嗪-1-ium-\kN个^4^）双（硫代磺胺-\kS公司)锌（II）二水合物;_publ_section_title_footnote。回路__公共作者名称_公共_作者_脚注_公共_作者_地址“阿维吉特·库马尔·保罗”。;化学系，库鲁克谢特拉国家技术学院，哈里亚纳邦136 119，印度;_公共_部分_摘要;在标题化合物中，两个硫代硫酸盐离子与锌（II）离子配位通过末端S原子。Zn^II周围的四面体配位^离子是由两个哌嗪离子的两个N原子连接而成的。在晶体，N--H…O和O--H…O氢键的网络导致形成三维超分子结构。;