LMucko/crystallography-open-database huggingface dataset:
Crystal structure of bis(2-phenylethylammonium) lead tetrachloride, C~16~H~24~Cl~4~N~2~Pb
Braun, Markus; Frey, Wolfgang; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 337–338; doi:

data_8101530
_publ_section_title
;
Crystal structure of bis(2-phenylethylammonium) lead tetrachloride, 
C~16~H~24~Cl~4~N~2~Pb
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              337
_journal_page_last               338
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C16 H24 Cl4 N2 Pb'
_chemical_formula_weight         593.36
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.69(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   33.816(9)
_cell_length_b                   5.6121(10)
_cell_length_c                   5.5780(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1056.4(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.865
_refine_ls_R_factor_obs          0.0355
_refine_ls_wR_factor_obs         0.0879
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               8101530
Crystal structure of diaqua[tris(2-aminoethyl)amine]cobalt(III) tris (trifluoromethanesulfonate), [Co(tren)(OH~2~)~2~](CF~3~SO~3~)~3~
Düpre, Y.; Bartscherer, E.; Sander, J.; Huch, V.; Hegetschweiler, K.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 406–409; doi:

data_8101531
_publ_section_title
;
Crystal structure of diaqua[tris(2-aminoethyl)amine]cobalt(III) tris
(trifluoromethanesulfonate), [Co(tren)(OH~2~)~2~](CF~3~SO~3~)~3~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              406
_journal_page_last               409
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C9 H22 Co F9 N4 O11 S3'
_chemical_formula_weight         688.41
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.73(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.970(4)
_cell_length_b                   12.288(2)
_cell_length_c                   21.900(4)
_cell_measurement_temperature    293(2)
_cell_volume                     4835.5(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.880
_refine_ls_R_factor_obs          0.0465
_refine_ls_wR_factor_obs         0.1179
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101531
Crystal structure of carbonato[tris(2-aminoethyl)amine]cobalt(III) chloride dihydrate, [Co(tren)CO~3~]Cl · 2 H~2~O
Düpre, Y.; Bartscherer, E.; Maas, O.; Sander, J.; Hegetschweiler, K.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 405–405; doi:

data_8101532
_publ_section_title
;
Crystal structure of carbonato[tris(2-aminoethyl)amine]cobalt(III) 
chloride dihydrate, [Co(tren)CO~3~]Cl &#x00B7; 2 H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              405
_journal_page_last               405
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C7 H22 Cl Co N4 O5'
_chemical_formula_weight         336.66
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.225(2)
_cell_length_b                   14.354(3)
_cell_length_c                   16.926(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2727.2(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.640
_refine_ls_R_factor_obs          0.0380
_refine_ls_wR_factor_obs         0.0987
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8101532
Crystal structure of (-)-α-conidendrin, C~20~H~20~O~6~
Stomberg, Rolf; Lundquist, Knut; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 403–404; doi:

data_8101533
_publ_section_title
;
Crystal structure of (-)-\a-conidendrin, C~20~H~20~O~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              403
_journal_page_last               404
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C20 H20 O6'
_chemical_formula_weight         356.36
_chemical_name_common            (-)-\a-Conidendrin
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.289(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.217(3)
_cell_length_b                   5.235(4)
_cell_length_c                   20.756(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1715.0(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.380
_refine_ls_R_factor_obs          0.0444
_refine_ls_wR_factor_obs         0.1291
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               8101533
Crystal structure of bis(trimethylphenylammonium) tetrabromocobaltate, [Me~3~PhN]~2~[CoBr~4~], and of bis(trimethylphenylammonium) tetrachlorocobaltate, [Me~3~PhN]~2~[CoCl~4~]
Wiest, Thomas; Eickmeier, Henning; Reuter, Hans; Blachnik, Roger; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 394–396; doi:

data_8101534
_publ_section_title
;
Crystal structure of bis(trimethylphenylammonium) tetrabromocobaltate, 
[Me~3~PhN]~2~[CoBr~4~], and of bis(trimethylphenylammonium) 
tetrachlorocobaltate, [Me~3~PhN]~2~[CoCl~4~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              394
_journal_page_last               396
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     '[Me3 Ph N]2[Co Br4]'
_chemical_formula_sum            'C18 H28 Br4 Co N2'
_chemical_formula_weight         650.99
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.460(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.994(3)
_cell_length_b                   9.780(2)
_cell_length_c                   31.354(4)
_cell_measurement_temperature    293(2)
_cell_volume                     4889.6(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.769
_refine_ls_R_factor_obs          0.0542
_refine_ls_wR_factor_obs         0.1039
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8101534
Crystal structure of bis(trimethylphenylammonium) tetrabromocobaltate, [Me~3~PhN]~2~[CoBr~4~], and of bis(trimethylphenylammonium) tetrachlorocobaltate, [Me~3~PhN]~2~[CoCl~4~]
Wiest, Thomas; Eickmeier, Henning; Reuter, Hans; Blachnik, Roger; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 394–396; doi:

data_8101535
_publ_section_title
;
Crystal structure of bis(trimethylphenylammonium) tetrabromocobaltate, 
[Me~3~PhN]~2~[CoBr~4~], and of bis(trimethylphenylammonium) 
tetrachlorocobaltate, [Me~3~PhN]~2~[CoCl~4~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              394
_journal_page_last               396
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     '[Me3 Ph N]2[Co Cl4]'
_chemical_formula_sum            'C18 H28 Cl4 Co N2'
_chemical_formula_weight         473.15
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.451(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.542(2)
_cell_length_b                   9.552(2)
_cell_length_c                   30.860(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4560.6(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.378
_refine_ls_R_factor_obs          0.0428
_refine_ls_wR_factor_obs         0.1075
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8101535
Crystal structure of S-ethyl (3S,4R,5S,6S)-5-carbothioate-3,4-dimethyl- 6-phenyltetrahydropyridin-2(1H)-one, C~16~H~21~NO~2~S
Tinant, Bernard; Declercq, Jean-Paul; Jnoff, Eric; Ghosez, Leon; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 321–322; doi:

data_8101536
_publ_section_title
;
Crystal structure of S-ethyl (3S,4R,5S,6S)-5-carbothioate-3,4-dimethyl-
6-phenyltetrahydropyridin-2(1H)-one, C~16~H~21~NO~2~S
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              321
_journal_page_last               322
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'C16 H21 N O2 S'
_chemical_formula_sum            'C16 H21 N O2 S'
_chemical_formula_weight         291.40
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.51(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.844(5)
_cell_length_b                   5.684(2)
_cell_length_c                   14.646(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1651.9(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.172
_refine_ls_R_factor_obs          0.0772
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               8101536
Crystal structure of 6-acetyl-3,4-dimethyl-5-[(2-oxo-1,3-oxazolidin- 3-yl)-carbonyl]tetrahydropyridin-2(1H)-one—water (4/1), C~13~H~18~N~2~O~5~ · 0.25 H~2~O
Tinant, Bernard; Declercq, Jean-Paul; Jnoff, Eric; Ghosez, Leon; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 323–325; doi:

data_8101537
_publ_section_title
;
Crystal structure of 6-acetyl-3,4-dimethyl-5-[(2-oxo-1,3-oxazolidin-
3-yl)-carbonyl]tetrahydropyridin-2(1H)-one---water (4/1), C~13~H~18~N~2~O~5~ 
&#x00B7; 0.25 H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              323
_journal_page_last               325
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'C13 H18 N2 O5 0.5 H2 O'
_chemical_formula_sum            'C13 H18.5 N2 O5.25'
_chemical_formula_weight         286.80
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.310(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.091(4)
_cell_length_b                   9.209(2)
_cell_length_c                   11.142(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2858.9(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.333
_refine_ls_R_factor_obs          0.0512
_cod_original_sg_symbol_H-M      'C 2'
_cod_original_formula_sum        'C13 H18.50 N2 O5.25'
_cod_database_code               8101537
Crystal structure of 3-(2-hydroxyphenyl)-1-(2'-hydroxyphenyl)-2-propen- 1-one, C~15~H~12~O~3~
Feng, Meow-Chan; Howie, R. Alan; Rufino, Helena; Yeap, Guan-Yeow; Tay, Meng-Guan; Teoh, Siang-Guan; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 329–330; doi:

data_8101538
_publ_section_title
;
Crystal structure of 3-(2-hydroxyphenyl)-1-(2'-hydroxyphenyl)-2-propen-
1-one, C~15~H~12~O~3~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              329
_journal_page_last               330
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'C15 H12 O3'
_chemical_formula_sum            'C15 H12 O3'
_chemical_formula_weight         240.25
_chemical_melting_point          434.0(10)
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.11(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.63(4)
_cell_length_b                   5.576(10)
_cell_length_c                   17.98(3)
_cell_measurement_temperature    298(2)
_cell_volume                     2361(7)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.352
_refine_ls_R_factor_obs          0.1081
_refine_ls_wR_factor_obs         0.2044
_reflns_number_observed          532
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '433-435' was changed to '434.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8101538
Crystal structure of bis(benzylammonium) lead tetrachloride, (C~7~H~7~NH~3~) ~2~PbCl~4~
Braun, Markus; Frey, Wolfgang; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 331–332; doi:

data_8101539
_publ_section_title
;
Crystal structure of bis(benzylammonium) lead tetrachloride, (C~7~H~7~NH~3~)
~2~PbCl~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              331
_journal_page_last               332
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C14 H20 Cl4 N2 Pb'
_chemical_formula_weight         565.31
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   33.619(7)
_cell_length_b                   7.8195(12)
_cell_length_c                   7.7282(13)
_cell_measurement_temperature    293(2)
_cell_volume                     2031.6(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.848
_refine_ls_R_factor_obs          0.0213
_refine_ls_wR_factor_obs         0.0544
_cod_database_code               8101539
Crystal structure of bis(2-naphthylmethylammonium) lead tetrachloride, (C~11~H~9~NH~3~)~2~PbCl~4~
Braun, Markus; Frey, Wolfgang; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 333–334; doi:

data_8101540
_publ_section_title
;
Crystal structure of bis(2-naphthylmethylammonium) lead tetrachloride, 
(C~11~H~9~NH~3~)~2~PbCl~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              333
_journal_page_last               334
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C22 H24 Cl4 N2 Pb'
_chemical_formula_weight         665.42
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.7485(15)
_cell_length_b                   7.790(2)
_cell_length_c                   20.859(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1259.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.755
_refine_ls_R_factor_obs          0.0479
_refine_ls_wR_factor_obs         0.1113
_cod_database_code               8101540
Crystal structure of diphenyltin(IV) N-(2-hydroxy-5-ethylacetophenone) glycinate, C~23~H~21~NO~3~Sn
Basu Baul, T. S.; Dutta, S.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 361–362; doi:

data_8101541
_publ_section_title
;
Crystal structure of diphenyltin(IV) N-(2-hydroxy-5-ethylacetophenone)
glycinate, C~23~H~21~NO~3~Sn
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              361
_journal_page_last               362
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'C23 H21 N O3 Sn '
_chemical_formula_sum            'C23 H21 N O3 Sn'
_chemical_formula_weight         478.11
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.15(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.270(3)
_cell_length_b                   19.496(4)
_cell_length_c                   10.270(4)
_cell_measurement_temperature    293
_cell_volume                     1975.1(9)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.608
_refine_ls_R_factor_obs          0.0268
_refine_ls_wR_factor_obs         0.0257
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C23 H21 N O3 Sn '
_cod_database_code               8101541
Crystal structure of 2'-fluorophenyl-2-ethylsulfonyl acetate, C~10~H~11~FO~4~S
Zukerman-Schpector, J.; Olivato, Paulo R.; Yreijo, Marcelo H.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 365–366; doi:

data_8101542
_publ_section_title
;
Crystal structure of 2'-fluorophenyl-2-ethylsulfonyl acetate, C~10~H~11~FO~4~S
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              365
_journal_page_last               366
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'C10 H11 F O4 S'
_chemical_formula_sum            'C10 H11 F O4 S'
_chemical_formula_weight         246.25
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.180(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.4166(5)
_cell_length_b                   8.2886(8)
_cell_length_c                   12.3390(10)
_cell_volume                     553.57(9)
_diffrn_ambient_temperature      291(1)
_exptl_crystal_density_diffrn    1.477
_refine_ls_R_factor_obs          0.0375
_refine_ls_wR_factor_obs         0.0880
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8101542
Crystal structure of bis(guanidinium) tetrachlorozincate, [C(NH~2~)~3~]~2~ZnCl~4~
Furukawa, Yoshihiro; Ishida, Hiroyuki; Kashino, Setsuo; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 367–368; doi:

data_8101543
_publ_section_title
;
Crystal structure of bis(guanidinium) tetrachlorozincate, 
[C(NH~2~)~3~]~2~ZnCl~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              367
_journal_page_last               368
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C2 H12 Cl4 N6 Zn'
_chemical_formula_weight         327.35
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.10(5)
_cell_angle_beta                 102.99(5)
_cell_angle_gamma                82.11(6)
_cell_formula_units_Z            2
_cell_length_a                   7.272(5)
_cell_length_b                   12.625(9)
_cell_length_c                   7.143(4)
_cell_measurement_temperature    295
_cell_volume                     632.4(7)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    1.719
_refine_ls_R_factor_obs          0.089
_refine_ls_wR_factor_obs         0.058
_cod_original_formula_sum        'C2 H12 Cl4 N6 Zn '
_cod_database_code               8101543