LMucko/crystallography-open-database huggingface dataset:
Crystal structure of 4-(3,4-dimethylphenyl)-3,5-bis(2-pyridyl)-1,2, 4-triazole, C~20~H~17~N~5~
Shao, Si-Chang; Yang, Song; Zhang, Shu-Ping; Wang, Da-Qi; Zhu, Hai-Liang; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 257–258; doi:

data_8100100
_publ_section_title
;
Crystal structure of 4-(3,4-dimethylphenyl)-3,5-bis(2-pyridyl)-1,2,
4-triazole, C~20~H~17~N~5~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              257
_journal_page_last               258
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C20 H17 N5'
_chemical_formula_sum            'C20 H17 N5'
_chemical_formula_weight         327.39
_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                82.630(5)
_cell_angle_beta                 62.925(5)
_cell_angle_gamma                63.291(5)
_cell_formula_units_Z            2
_cell_length_a                   10.006(3)
_cell_length_b                   10.318(3)
_cell_length_c                   10.371(3)
_cell_measurement_temperature    298(2)
_cell_volume                     847.7(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.283
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'Triclnic' was replaced with
'triclinic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               8100100
Crystal structure of 4-(4-tert-butylphenyl)-3,5-bis(2-pyridyl)-1,2, 4-triazole, C~22~H~21~N~5~
Shao, Si-Chang; Yang, Song; Zhang, Shu-Ping; Wang, Da-Qi; Zhu, Hai-Liang; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 259–260; doi:

data_8100101
_publ_section_title
;
Crystal structure of 4-(4-tert-butylphenyl)-3,5-bis(2-pyridyl)-1,2,
4-triazole, C~22~H~21~N~5~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              259
_journal_page_last               260
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C22 H21 N5'
_chemical_formula_sum            'C22 H21 N5'
_chemical_formula_weight         355.44
_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                 102.488(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.348(9)
_cell_length_b                   5.980(3)
_cell_length_c                   20.909(12)
_cell_measurement_temperature    298(2)
_cell_volume                     1873.7(18)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.260
_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               8100101
Crystal structure of tetrakis(acetonitrile)zinc(II) sulfate, Zn(C~2~H~3~N) ~4~SO~4~
Yang, Hai-Lang; Yang, Feng; Zhu, Hai-Liang; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 329–330; doi:

data_8100102
_publ_section_title
;
Crystal structure of tetrakis(acetonitrile)zinc(II) sulfate, Zn(C~2~H~3~N)
~4~SO~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              329
_journal_page_last               330
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C8 H12 N4 Zn, S O4'
_chemical_formula_sum            'C8 H12 N4 O4 S Zn'
_chemical_formula_weight         325.65
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   24.252(10)
_cell_length_b                   8.456(3)
_cell_length_c                   20.743(8)
_cell_measurement_temperature    298(2)
_cell_volume                     4254(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.525
_cod_database_code               8100102
Crystal structure of 4-methyl-2-phenyl-5-[4-phenyl-5-(propylsulfanyl)- 4H-1,2,4-triazol-3-yl]-1,3-thiazole, C~21~H~20~N4S~2~
Ramazani, Ali; Souldozi, Ali; Morsali, Ali; Jalilian, Amir Reza; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 247–248; doi:

data_8100103
_publ_section_title
;
Crystal structure of 4-methyl-2-phenyl-5-[4-phenyl-5-(propylsulfanyl)-
4H-1,2,4-triazol-3-yl]-1,3-thiazole, C~21~H~20~N4S~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              247
_journal_page_last               248
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C21 H20 N4 S2'
_chemical_formula_sum            'C21 H20 N4 S2'
_chemical_formula_weight         392.53
_chemical_melting_point          447
_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                114.766(3)
_cell_angle_beta                 97.987(3)
_cell_angle_gamma                98.308(3)
_cell_formula_units_Z            2
_cell_length_a                   8.6099(14)
_cell_length_b                   10.5465(16)
_cell_length_c                   12.3721(19)
_cell_measurement_temperature    110(2)
_cell_volume                     984.2(3)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.325
_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 

The following automatic conversions were performed:

'_chemical_melting_point' value '447 K' was changed to '447' - 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               8100103
Crystal structure of (2,2'-biquinolyl-N,N')bis(thiocyanato)mercury (II) benzene hemisolvate, [Hg(C~18~H~12~N~2~)(SCN)~2~] · 0.5C~6~H~6~
Ramazani, Ali; Morsali, Ali; Haji-Abolfath, Ali; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 245–246; doi:

data_8100104
_publ_section_title
;
Crystal structure of (2,2'-biquinolyl-N,N')bis(thiocyanato)mercury
(II) benzene hemisolvate, [Hg(C~18~H~12~N~2~)(SCN)~2~] &#x00B7; 0.5C~6~H~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              245
_journal_page_last               246
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C20 H12 N4 S2 Hg, 0.5(C6 H6)'
_chemical_formula_sum            'C23 H15 Hg N4 S2'
_chemical_formula_weight         612.10
_chemical_melting_point          210
_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                 100.284(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.186(5)
_cell_length_b                   15.137(7)
_cell_length_c                   12.355(6)
_cell_measurement_temperature    110(2)
_cell_volume                     2058.3(16)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.975
_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               8100104
Crystal structure of poly[(5-hydroxy-1,3-benzenedicarboxylato)(N,N'- dimethylformamide)copper(II)], Cu(C~8~H~4~O~5~)(C~3~H~7~NO)
Ma, Jin-Xing; He, Hong-Yin; Zhou, Yi-Li; Zhu, Long-Guan; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 219–220; doi:

data_8100105
_publ_section_title
;
Crystal structure of poly[(5-hydroxy-1,3-benzenedicarboxylato)(N,N'-
dimethylformamide)copper(II)], Cu(C~8~H~4~O~5~)(C~3~H~7~NO)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              219
_journal_page_last               220
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C11 H11 Cu N O6'
_chemical_formula_weight         316.75
_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                90.00
_cell_angle_beta                 93.076(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.6511(7)
_cell_length_b                   10.6581(10)
_cell_length_c                   15.0566(14)
_cell_measurement_temperature    293(2)
_cell_volume                     1226.0(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.716
_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/c'
_cod_database_code               8100105
Crystal structure of bis(2,2'-bipyridine)bis(2-furancarboxylato)tetra [μ-(2-furancarboxylato-O,O')]-diterbium(III) 2,2'-bipyridine disolvate, Tb~2~(C~5~H~3~O~3~)~6~(C~10~H~8~N~2~)~2~ · 2C~10~H~8~N~2~
Li, Xia; Zou, Ying-Quan; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 275–277; doi:

data_8100106
_publ_section_title
;
Crystal structure of bis(2,2'-bipyridine)bis(2-furancarboxylato)tetra
[\m-(2-furancarboxylato-O,O')]-diterbium(III) 2,2'-bipyridine 
disolvate, Tb~2~(C~5~H~3~O~3~)~6~(C~10~H~8~N~2~)~2~ &#x00B7; 2C~10~H~8~N~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              275
_journal_page_last               277
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C70 H50 N8 O18 Tb2'
_chemical_formula_weight         1608.01
_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                103.479(6)
_cell_angle_beta                 103.925(6)
_cell_angle_gamma                93.895(6)
_cell_formula_units_Z            1
_cell_length_a                   10.405(4)
_cell_length_b                   11.787(5)
_cell_length_c                   14.217(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1631.5(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.637
_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               8100106
Crystal structure of 1,7-{bis[6-methoxy-8-(4-toluene-sulfonamido)quinol- 2-yl]}-heptane, C~41~H~44~N~4~O~6~S~2~
Kimber, M. C.; Lincoln, S. F.; Ward, A. D.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 216–218; doi:

data_8100107
_publ_section_title
;
Crystal structure of 1,7-{bis[6-methoxy-8-(4-toluene-sulfonamido)quinol-
2-yl]}-heptane, C~41~H~44~N~4~O~6~S~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              216
_journal_page_last               218
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C41 H42 N4 O6 S2 '
_chemical_formula_structural     'C41 H44 N4 O6 S2'
_chemical_formula_sum            'C41 H44 N4 O6 S2'
_chemical_formula_weight         752.92
_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                 111.03(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.241(2)
_cell_length_b                   12.291(2)
_cell_length_c                   19.578(6)
_cell_measurement_temperature    173
_cell_volume                     3872(1)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.291
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C41 H44 N4 O6 S2 '
_cod_database_code               8100107
Crystal structure of rccc-tetrakis-(iso-butyl)-resorcin[4]arene dimethylformamide trisolvate, C~44~H~56~O~8~ · 3(CH~3~)~2~NCHO
Liu, Shu-Qun; Zhang, Qian-Feng; Leung, Wa-Hung; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 265–268; doi:

data_8100108
_publ_section_title
;
Crystal structure of rccc-tetrakis-(iso-butyl)-resorcin[4]arene 
dimethylformamide trisolvate, C~44~H~56~O~8~ &#x00B7; 3(CH~3~)~2~NCHO
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              265
_journal_page_last               268
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C53 H77 N3 O11'
_chemical_formula_weight         932.18
_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                 107.5740(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5985(6)
_cell_length_b                   30.6588(16)
_cell_length_c                   17.0701(9)
_cell_measurement_temperature    100(2)
_cell_volume                     5287.8(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.171
_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               8100108
Crystal structure of η^2^-η^2^-μ~2~-succinato-bis[bis(2,2'-bipyridine-N,N') zinc(II)] sebacate dodecahydrate, {[Zn(C~10~H~8~N~2~)~2~]~2~C~4~H~4~O~4~}C~10~H~16~O~4~ · 12H~2~O
Zheng, Yue-Qing; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 227–229; doi:

data_8100109
_publ_section_title
;
Crystal structure of \h^2^-\h^2^-\m~2~-succinato-bis[bis(2,2'-bipyridine-N,N')
zinc(II)] sebacate dodecahydrate, 
{[Zn(C~10~H~8~N~2~)~2~]~2~C~4~H~4~O~4~}C~10~H~16~O~4~ &#x00B7; 12H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              227
_journal_page_last               229
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C54 H76 N8 O20 Zn2'
_chemical_formula_weight         1287.97
_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                78.460(10)
_cell_angle_beta                 83.230(10)
_cell_angle_gamma                77.580(10)
_cell_formula_units_Z            1
_cell_length_a                   10.9690(10)
_cell_length_b                   11.4700(10)
_cell_length_c                   12.4450(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1493.6(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.432
_cod_database_code               8100109
Refinement of the crystal structure of aqua-(1,5-diazacyclooctane- N,N'-diacetato)nickel(II) dihydrate, [Ni(C~10~H~18~N~2~O~4~)(H~2~O)] · 2H~2~O, analysis of hydrogen-bonding interactions
Zhao, Xiao-Jun; Guo, Jian-Hua; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 221–223; doi:

data_8100110
_publ_section_title
;
Refinement of the crystal structure of aqua-(1,5-diazacyclooctane-
N,N'-diacetato)nickel(II) dihydrate, [Ni(C~10~H~18~N~2~O~4~)(H~2~O)] 
&#x00B7; 2H~2~O, analysis of hydrogen-bonding interactions
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              221
_journal_page_last               223
_journal_volume                  219
_journal_year                    2004
_chemical_formula_iupac          '[Ni (C10H16N2O4) (H2O)](H2O)2'
_chemical_formula_moiety         'C10 H18 N2 Ni O5, 2(H2 O)'
_chemical_formula_sum            'C10 H22 N2 Ni O7'
_chemical_formula_weight         340.99
_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                90.00
_cell_angle_beta                 112.792(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.240(4)
_cell_length_b                   7.161(2)
_cell_length_c                   14.239(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1338.6(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.692
_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_Hall     -P_2ybc
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        ' C10 H22 N2 Ni O7'
_cod_database_code               8100110
Crystal structure of μ-benzene-1,2,4,5-tetracarboxylato-bis [bis(1,10-phenanthroline)copper(II)] benzene-1,2,4,5-tetracarboxylic acid solvate, [Cu(C~12~H~8~N~2~)~2~]~2~(C~10~H~2~O~8~) · C~10~H~6~O~8~
Yuan, Ji-Xin; Xiao, Hong-Ping; Hu, Mao-Lin; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 224–226; doi:

data_8100111
_publ_section_title
;
Crystal structure of \m-benzene-1,2,4,5-tetracarboxylato-bis
[bis(1,10-phenanthroline)copper(II)] benzene-1,2,4,5-tetracarboxylic 
acid solvate, [Cu(C~12~H~8~N~2~)~2~]~2~(C~10~H~2~O~8~) &#x00B7; C~10~H~6~O~8~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              224
_journal_page_last               226
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C58 H34 Cu2 N8 O8, C10 H6 O8'
_chemical_formula_sum            'C68 H40 Cu2 N8 O16'
_chemical_formula_weight         1352.16
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                97.987(2)
_cell_angle_beta                 99.868(2)
_cell_angle_gamma                93.625(2)
_cell_formula_units_Z            1
_cell_length_a                   10.4267(9)
_cell_length_b                   10.6931(10)
_cell_length_c                   12.6461(11)
_cell_measurement_temperature    298(2)
_cell_volume                     1370.1(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.639
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-07

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               8100111
Crystal structure of 2,7-dibromo-4,5-diazofluoren-9-one-3,4-dibromomaleimide, C~11~H~4~N~20~Br~2~ · C~4~HNO~2~Br~2~
Zhang, Hai-Guang; Yu, Wen-Tao; Wang, Lei; Yang, Jia-Xiang; Tao, Xu-Tang; Jiang, Min-Hua; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 333–334; doi:

data_8100112
_publ_section_title
;
Crystal structure of 2,7-dibromo-4,5-diazofluoren-9-one-3,4-dibromomaleimide, 
C~11~H~4~N~20~Br~2~ &#x00B7; C~4~HNO~2~Br~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              333
_journal_page_last               334
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C11H4N2OBr2, C4H1N1O2Br2'
_chemical_formula_sum            'C15 H5 Br4 N3 O3'
_chemical_formula_weight         594.86
_space_group_IT_number           109
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      109
_symmetry_space_group_name_Hall  'I 4bw -2'
_symmetry_space_group_name_H-M   'I 41 m d'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.3027(14)
_cell_length_b                   29.3027(14)
_cell_length_c                   4.0462(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3474.3(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.275
_cod_database_code               8100112