LMucko/crystallography-open-database huggingface dataset:
FeAl~3~Si~2~
Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.; Acta Crystallographica Section C 51 (1995) 177–179; doi:

data_2010455
_publ_section_title
;
FeAl~3~Si~2~
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              177
_journal_page_last               179
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Al2.7 Fe Si2.3'
_chemical_formula_weight         193.28
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.0610(10)
_cell_length_b                   6.0610(10)
_cell_length_c                   9.5250(10)
_cell_measurement_temperature    294
_cell_volume                     349.90(10)
_exptl_crystal_density_diffrn    3.67
_refine_ls_R_factor_obs          0.034
_refine_ls_wR_factor_obs         0.037
_cod_original_formula_sum        'Fe Al2.7 Si2.3'
_cod_database_code               2010455
[3,10-Diethyl-5,8-diazadodecane-3,10-dithiolato-(3-)- N,N',S,S')oxorhenium(IV) Chloroform Solvate
Hambley, Trevor W.; Knott, Robert K.; Jackson, Timothy W.; Kojima, Masaharu; Lambrecht, Richard M.; Acta Crystallographica Section C 51 (1995) 203–205; doi:

data_2010456
_publ_section_title
;
[3,10-Diethyl-5,8-diazadodecane-3,10-dithiolato-(3-)-
N,N',S,S')oxorhenium(IV)
Chloroform Solvate
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              203
_journal_page_last               205
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C14 H29 N2 O Re S2 , C H Cl3'
_chemical_formula_sum            'C15 H30 Cl3 N2 O Re S2'
_chemical_formula_weight         611.10
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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
_cell_angle_beta                 90.92(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.058(7)
_cell_length_b                   18.962(7)
_cell_length_c                   17.05(2)
_cell_measurement_temperature    273.2
_cell_volume                     2281(2)
_diffrn_ambient_temperature      273.2
_exptl_crystal_density_diffrn    1.779
_refine_ls_R_factor_obs          0.0500
_refine_ls_wR_factor_obs         0.0540
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 54 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2010456
_cod_duplicate_entry 2003198
Aversin
Chan, Simon; Trotter, James; Acta Crystallographica Section C 51 (1995) 272–274; doi:

data_2010457
_publ_section_title
;
Aversin
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              272
_journal_page_last               274
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C20 H16 O7'
_chemical_formula_sum            'C20 H16 O7'
_chemical_formula_weight         368.34
_chemical_name_common            aversin
_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
_cell_angle_beta                 96.41(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.166(2)
_cell_length_b                   20.282(2)
_cell_length_c                   15.513(3)
_cell_measurement_temperature    294
_cell_volume                     1615.2(5)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    1.515
_refine_ls_R_factor_obs          0.063
_refine_ls_wR_factor_obs         0.079
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 86 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2010457
_cod_duplicate_entry 2003199
9(10H)-Acridone
Potts, Graham D.; Jones, W.; Acta Crystallographica Section C 51 (1995) 267–268; doi:

data_2010458
_publ_section_title
;
9(10H)-Acridone
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              267
_journal_page_last               268
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C13 H9 N O'
_chemical_formula_sum            'C13 H9 N O'
_chemical_formula_weight         195.21
_chemical_melting_point_gt       473.15
_chemical_name_common            9(10H)-ACRIDONE
_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                 97.22(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.5330(10)
_cell_length_b                   16.537(3)
_cell_length_c                   12.687(3)
_cell_measurement_temperature    569(2)
_cell_volume                     943.5(3)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.374
_refine_ls_R_factor_obs          0.0543
_refine_ls_wR_factor_obs         0.1759
_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 

The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_melting_point_gt' since the value was specified 'more
than' ('>') a certain temperature. The value '>200C' was changed to
'473.15' - it was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2010458
trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults
Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W.; Acta Crystallographica Section C 51 (1995) 208–210; doi:

data_2010459
_publ_section_title
;
 trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II)
 from Crystals With and Without Stacking Faults
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              208
_journal_page_last               210
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C43 H37 Br P2 Pd'
_chemical_formula_weight         802.04
_chemical_melting_point          478
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.200(8)
_cell_angle_beta                 92.094(9)
_cell_angle_gamma                105.191(8)
_cell_formula_units_Z            2
_cell_length_a                   11.0610(10)
_cell_length_b                   12.1710(10)
_cell_length_c                   14.334(2)
_cell_measurement_temperature    298
_cell_volume                     1851.0(4)
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    1.439
_refine_ls_R_factor_obs          .051
_refine_ls_wR_factor_obs         .054
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '478_K' was changed to '478' - the
value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               2010459
_cod_duplicate_entry 2003201
trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults
Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W.; Acta Crystallographica Section C 51 (1995) 208–210; doi:

data_2010460
_publ_section_title
;
 trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II)
 from Crystals With and Without Stacking Faults
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              208
_journal_page_last               210
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C43 H37 Br P2 Pd'
_chemical_formula_weight         802.04
_chemical_melting_point          478
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.161(6)
_cell_angle_beta                 92.072(4)
_cell_angle_gamma                105.199(6)
_cell_formula_units_Z            2
_cell_length_a                   11.0691(4)
_cell_length_b                   12.1779(11)
_cell_length_c                   14.3380(7)
_cell_measurement_temperature    299
_cell_volume                     1854.0(2)
_diffrn_ambient_temperature      299
_exptl_crystal_density_diffrn    1.437
_refine_ls_R_factor_obs          .060
_refine_ls_wR_factor_obs         .095
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '478_K' was changed to '478' - the
value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               2010460
_cod_duplicate_entry 2003202
1,5-bis-Di-tert-butyl-2,4-dinitrobenzene, C~14~H~20~N~2~O~4~
Numan, Milco; Schenk, Henk; Döpp, Dietrich; Acta Crystallographica Section C 51 (1995) 260–262; doi:

data_2010464
_publ_section_title
;
1,5-bis-Di-tert-butyl-2,4-dinitrobenzene,
C~14~H~20~N~2~O~4~
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              260
_journal_page_last               262
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C14 H20 N2 O4'
_chemical_formula_weight         280.32
_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                90.00000
_cell_angle_beta                 101.160(10)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   9.4460(10)
_cell_length_b                   10.817(3)
_cell_length_c                   15.100(2)
_cell_measurement_temperature    247
_cell_volume                     1513.7(5)
_diffrn_ambient_temperature      247
_exptl_crystal_density_diffrn    1.23
_refine_ls_R_factor_obs          .070
_refine_ls_wR_factor_obs         .087
_cod_original_sg_symbol_Hall     -P_2yn
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2010464
_cod_duplicate_entry 2003203
The Polymeric Structure of Aquacadmium Bisnicotinate
Clegg, William; Cressey, Jonathan T.; McCamley, Andrew; Straughan, Brian P.; Acta Crystallographica Section C 51 (1995) 234–235; doi:

data_2010466
_publ_section_title
;
The Polymeric Structure of Aquacadmium Bisnicotinate
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              234
_journal_page_last               235
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         '[Cd (C6 H4 N O2)2 (H2 O)]'
_chemical_formula_sum            'C12 H10 Cd N2 O5'
_chemical_formula_weight         374.62
_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                   11.453(2)
_cell_length_b                   12.119(2)
_cell_length_c                   17.444(4)
_cell_measurement_temperature    295(2)
_cell_volume                     2421.2(8)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    2.055
_refine_ls_R_factor_obs          0.0207
_refine_ls_wR_factor_obs         0.0531
_cod_database_code               2010466
4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2H)-benzofuranone
B. Satish Goud; Kaliyamoorthy Panneerselvam; David E. Zacharias; Gautam R. Desiraju; Acta Crystallographica Section C 51 (1995) 265–267; doi:

data_2010471
_publ_section_title
;
4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2H)-benzofuranone
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              265
_journal_page_last               267
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C17 H13 N O4'
_chemical_formula_weight         295.28
_chemical_melting_point          128
_chemical_name_common            aurone
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.46(2)
_cell_angle_beta                 96.88(2)
_cell_angle_gamma                113.43(2)
_cell_formula_units_Z            4
_cell_length_a                   8.1610(10)
_cell_length_b                   8.2220(10)
_cell_length_c                   23.113(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1402.8(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.398
_refine_ls_R_factor_obs          0.0576
_refine_ls_wR_factor_obs         0.1494
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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               2010471
(E)-α-Acetophenone O-4-(2,3,5,6-Tetrafluoro)pyridyloxime, Formed by 2-Substitution of Pentafluoropyridine by (E)-Acetophenone Oximate
Banks, R. E.; Jondi, W. J.; Pritchard, R. G.; Tipping, A. E.; Acta Crystallographica Section C 51 (1995) 293–295; doi:

data_2010476
_publ_section_title
;
(E)-\a-Acetophenone O-4-(2,3,5,6-Tetrafluoro)pyridyloxime,
Formed by 2-Substitution of Pentafluoropyridine by (E)-Acetophenone Oximate
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              293
_journal_page_last               295
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         ' C13 H8 F4 N2 O1 '
_chemical_formula_structural     ' C13 H8 F4 N2 O1 '
_chemical_formula_sum            'C13 H8 F4 N2 O'
_chemical_formula_weight         284.21
_chemical_melting_point          390.0(10)
_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
_cell_angle_beta                 105.900(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.579(3)
_cell_length_b                   11.107(2)
_cell_length_c                   8.2990(10)
_cell_measurement_temperature    296
_cell_volume                     1203.8(8)
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    1.568
_refine_ls_R_factor_obs          0.034
_refine_ls_wR_factor_obs         0.029
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '389-391 K' was changed to
'390.0(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      'P 21/n'
_cod_original_formula_sum        ' C13 H8 F4 N2 O1 '
_cod_database_code               2010476
_cod_duplicate_entry 2003206
(±)-7,7,9β-Trimethyl-6(αH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one.
Mukherjee, Monika; Mukherjee, Alok K.; Das, Sarbani; Mukherjee, Debabrata; Helliwell, Madeleine; Acta Crystallographica Section C 51 (1995) 280–282; doi:

data_2010478
_publ_section_title
;
(+-)-7,7,9\b-Trimethyl-6(\aH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one.
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              280
_journal_page_last               282
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C15 H24 O'
_chemical_formula_sum            'C15 H24 O'
_chemical_formula_weight         220.34
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00(3)
_cell_angle_beta                 90.00(3)
_cell_angle_gamma                90.00(3)
_cell_formula_units_Z            4
_cell_length_a                   9.958(3)
_cell_length_b                   9.961(4)
_cell_length_c                   12.978(6)
_cell_measurement_temperature    294(2)
_cell_volume                     1287.3(9)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    1.137
_refine_ls_R_factor_obs          0.0502
_refine_ls_wR_factor_obs         0.1217
_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               2010478
Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane
Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene; Acta Crystallographica Section C 51 (1995) 246–249; doi:

data_2010479
_publ_section_title
;
Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane
and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              246
_journal_page_last               249
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C24 H27 N3 O3'
_chemical_formula_weight         405.53
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.900(10)
_cell_angle_beta                 93.270(10)
_cell_angle_gamma                117.590(10)
_cell_formula_units_Z            2
_cell_length_a                   8.582(2)
_cell_length_b                   8.996(2)
_cell_length_c                   15.357(3)
_cell_measurement_temperature    293
_cell_volume                     1040.0(10)
_exptl_crystal_density_diffrn    1.29
_refine_ls_R_factor_obs          0.038
_refine_ls_wR_factor_obs         0.050
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-10

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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               2010479
Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane
Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene; Acta Crystallographica Section C 51 (1995) 246–249; doi:

data_2010480
_publ_section_title
;
Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane
and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              246
_journal_page_last               249
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C24 H27 N3 O3'
_chemical_formula_weight         405.53
_space_group_IT_number           29
_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        'P c a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.518(2)
_cell_length_b                   16.427(2)
_cell_length_c                   8.4600(10)
_cell_measurement_temperature    293
_cell_volume                     2157(2)
_exptl_crystal_density_diffrn    1.25
_refine_ls_R_factor_obs          0.027
_refine_ls_wR_factor_obs         0.036
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-10
;
_cod_database_code               2010480
Hexakis(2-chloroethylammonium) Hexachloroplumbate(II) Chloride
Geselle, M.; Fuess, H.; Acta Crystallographica Section C 51 (1995) 242–244; doi:

data_2010484
_publ_section_title
;
Hexakis(2-chloroethylammonium) Hexachloroplumbate(II) Chloride
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              242
_journal_page_last               244
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C12 H42 Cl14 N6 Pb1'
_chemical_formula_structural
;
(Cl C2 H4 N H3 1+)6 (Pb Cl6 4-) (Cl 1-)2
;
_chemical_formula_sum            'C12 H42 Cl14 N6 Pb'
_chemical_formula_weight         974.05
_chemical_name_common
;
Hexakis(2-chloroethylammonium) hexachloroplumbate chloride
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.280(10)
_cell_angle_beta                 81.070(10)
_cell_angle_gamma                74.300(10)
_cell_formula_units_Z            1
_cell_length_a                   8.1750(10)
_cell_length_b                   10.150(2)
_cell_length_c                   11.2540(10)
_cell_measurement_temperature    298
_cell_volume                     885.3(2)
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    1.827
_refine_ls_R_factor_obs          .029
_refine_ls_wR_factor_obs         .039
_cod_original_formula_sum        'C12 H42 Cl14 N6 Pb1'
_cod_database_code               2010484
_cod_duplicate_entry 2003211