LMucko/crystallography-open-database huggingface dataset:
Structure of 2,3-bis(2-pyridyl)pyrazine
Huang, N.-T.; Pennington, W. T.; Petersen, J. D.; Acta Crystallographica Section C 47 (1991) 2011–2012; doi:10.1107/S010827019100272X

data_2000263
_publ_section_title
;
 Structure of 2,3-bis(2-pyridyl)pyrazine
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2011
_journal_page_last               2012
_journal_paper_doi               10.1107/S010827019100272X
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C14 H10 N4'
_chemical_formula_weight         234.26
_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                   16.439(3)
_cell_length_b                   9.448(2)
_cell_length_c                   7.478(2)
_cell_volume                     1161.5(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_F_000             488
_cod_data_source_file            st0509.cif
_cod_data_source_block           st0509a
_cod_original_cell_volume        1161.5(3)
_cod_database_code               2000263
Structure of aquabis(sulfato)tetrakis(urea)thorium(IV) dihydrate
Habash, J.; Beddoes, R. L.; Smith, A. J.; Acta Crystallographica Section C 47 (1991) 1595–1597; doi:10.1107/S0108270191001543

data_2000264
_publ_section_title
;
 Structure of aquabis(sulfato)tetrakis(urea)thorium(IV) dihydrate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1595
_journal_page_last               1597
_journal_paper_doi               10.1107/S0108270191001543
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         'C4 H18 N8 O13 S2 Th1,2(H2 O1)'
_chemical_formula_sum            'C4 H22 N8 O15 S2 Th'
_chemical_formula_weight         718.42
_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
_cell_angle_beta                 93.52(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.170(10)
_cell_length_b                   8.150(10)
_cell_length_c                   32.010(10)
_cell_volume                     4210(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    10.836
_exptl_crystal_density_diffrn    2.267
_exptl_crystal_density_meas      2.255
_exptl_crystal_F_000             2752
_cod_data_source_file            mu0237.cif
_cod_data_source_block           mu0237a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2016-12-23
;
_cod_original_formula_sum        'C4 H22 N8 O15 S2 Th1'
_cod_database_code               2000264
Structure of calcium bis(phosphoenolpyruvate) dihydrate
Lis, T.; Kuczek, M.; Acta Crystallographica Section C 47 (1991) 1598–1600; doi:10.1107/S0108270191001531

data_2000265
_publ_section_title
;
 Structure of calcium bis(phosphoenolpyruvate) dihydrate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1598
_journal_page_last               1600
_journal_paper_doi               10.1107/S0108270191001531
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C6 H12 Ca O14 P2'
_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                83.00(8)
_cell_angle_beta                 85.73(6)
_cell_angle_gamma                85.18(7)
_cell_formula_units_Z            1
_cell_length_a                   5.424(4)
_cell_length_b                   5.594(6)
_cell_length_c                   12.078(9)
_cell_volume                     361.7(5)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    .72
_exptl_crystal_density_diffrn    1.883(4)
_exptl_crystal_density_meas      1.87
_exptl_crystal_F_000             210
_cod_data_source_file            mu0223.cif
_cod_data_source_block           mu0223a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        361.7(6)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C6 H12 O14 P2 Ca1'
_cod_database_code               2000265
Structure of an organometallic polymer, [Na{(η^5^-C~5~H~5~)Co[P(O)(OMe)~2~]~3~}]~<i>n~</i>
Kläui, W.; Matt, D.; Balegroune, F.; Grandjean, D.; Acta Crystallographica Section C 47 (1991) 1614–1617; doi:10.1107/S010827019100152X

data_2000266
_publ_section_title
;
 Structure of an organometallic polymer,
 [Na{(\h^5^-C~5~H~5~)Co[P(O)(OMe)~2~]~3~}]~<i>n~</i>
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1614
_journal_page_last               1617
_journal_paper_doi               10.1107/S010827019100152X
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C11 H23 Co Na O9 P3'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n a 21'
_audit_creation_method           'IUCr CIFGEN early version'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.195(8)
_cell_length_b                   9.436(3)
_cell_length_c                   11.316(5)
_cell_volume                     1942.8(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_F_000             976
_cod_data_source_file            mu0208.cif
_cod_data_source_block           mu0208a
_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 

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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1943
_cod_original_sg_symbol_H-M      Pna21
_cod_original_formula_sum        NaC11H23CoO9P3
_cod_database_code               2000266
Structure of a monochloro bridged polymeric copper(II)-di-2-pyridylamine complex: [Cu(dipyam)Cl(NO~3~)].0.5H~2~O
Mathews, I. I.; Manohar, H.; Acta Crystallographica Section C 47 (1991) 1621–1624; doi:10.1107/S0108270191001233

data_2000267
_publ_section_title
;
 Structure of a monochloro bridged polymeric
 copper(II)-di-2-pyridylamine complex: [Cu(dipyam)Cl(NO~3~)].0.5H~2~O
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1621
_journal_page_last               1624
_journal_paper_doi               10.1107/S0108270191001233
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         '(C10 H9 N4 Cu Cl) 0.5(H2 O)'
_chemical_formula_sum            'C10 H10 Cl Cu N4 O3.5'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.260(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.3820(10)
_cell_length_b                   21.494(4)
_cell_length_c                   8.0320(10)
_cell_volume                     1270.9(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    2.02
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_meas      1.78
_exptl_crystal_F_000             688
_cod_data_source_file            ab0184.cif
_cod_data_source_block           ab0184a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-17

 Marking the 'O(W)' atom as having two attached hydrogen atoms and
 the occupancy of 0.5 after consulting th original publication.

 Antanas Vaitkus,
 2018-06-17

The _chemical_formula_sum may contain incorrect count for O (oxygen).
Saulius Gra\<zulis
;
_cod_original_cell_volume        1270.9
_cod_original_sg_symbol_H-M      P21/a
_cod_original_formula_sum        'C10 H10 N4 Cu Cl O3.5'
_cod_database_code               2000267
The rearrangement of coumarin-4-acethydrazides. Structure of 1-amino-4-(2-hydroxy-4-methoxyphenyl)-2,6(1<i>H</i>,3<i>H</i>)-pyridinedione
Baggett, N.; Case, M. A.; Foulon, J.-D.; Gray, C. J.; Hamor, T. A.; Acta Crystallographica Section C 47 (1991) 1670–1672; doi:10.1107/S0108270190013890

data_2000268
_publ_section_title
;
 The rearrangement of coumarin-4-acethydrazides. Structure of
 1-amino-4-(2-hydroxy-4-methoxyphenyl)-2,6(1<i>H</i>,3<i>H</i>)-pyridinedione
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1670
_journal_page_last               1672
_journal_paper_doi               10.1107/S0108270190013890
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C12 H12 N2 O4'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_creation_method           'IUCr CIFGEN early version'
_cell_angle_alpha                88.77(7)
_cell_angle_beta                 89.06(2)
_cell_angle_gamma                74.62(6)
_cell_formula_units_Z            2
_cell_length_a                   6.793(2)
_cell_length_b                   7.209(11)
_cell_length_c                   11.405(4)
_cell_volume                     538.4(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_F_000             260
_cod_data_source_file            mu0215.cif
_cod_data_source_block           mu0215a
_cod_depositor_comments
;
 Changing the space group from 'P 1' to '-P 1' after consulting the original
 publication.

 Antanas Vaitkus,
 2017-09-11
;
_cod_original_cell_volume        538.35
_cod_original_sg_symbol_H-M      P1
_cod_original_formula_sum        C12H12N2O4
_cod_database_code               2000268
Structure of the 4-oxo-2-butenoic acid alkyl ester moiety. III. Structures of diethyl <i>N</i>,<i>N</i>'-(ethylenediamino)bis(4-oxo-2-butenoate) and propyl 4-oxo-4-ureido-2-butenoate
Główka, M. L.; Acta Crystallographica Section C 47 (1991) 1680–1683; doi:10.1107/S0108270190013932

data_2000269
_publ_section_title
;
 Structure of the 4-oxo-2-butenoic acid alkyl ester moiety. III.
 Structures of diethyl
 <i>N</i>,<i>N</i>'-(ethylenediamino)bis(4-oxo-2-butenoate) and propyl
 4-oxo-4-ureido-2-butenoate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1680
_journal_page_last               1683
_journal_paper_doi               10.1107/S0108270190013932
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C14 H20 N2 O6'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_audit_creation_method           'IUCr CIFGEN early version'
_cell_angle_alpha                90
_cell_angle_beta                 99.870(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.3480(10)
_cell_length_b                   4.8540(10)
_cell_length_c                   14.6290(10)
_cell_volume                     793.89(19)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_F_000             332
_cod_data_source_file            mu0218.cif
_cod_data_source_block           mu0218a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        793.9
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        C14H20N2O6
_cod_database_code               2000269
Structure of the 4-oxo-2-butenoic acid alkyl ester moiety. III. Structures of diethyl <i>N</i>,<i>N</i>'-(ethylenediamino)bis(4-oxo-2-butenoate) and propyl 4-oxo-4-ureido-2-butenoate
Główka, M. L.; Acta Crystallographica Section C 47 (1991) 1680–1683; doi:10.1107/S0108270190013932

data_2000270
_publ_section_title
;
 Structure of the 4-oxo-2-butenoic acid alkyl ester moiety. III.
 Structures of diethyl
 <i>N</i>,<i>N</i>'-(ethylenediamino)bis(4-oxo-2-butenoate) and propyl
 4-oxo-4-ureido-2-butenoate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1680
_journal_page_last               1683
_journal_paper_doi               10.1107/S0108270190013932
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C8 H12 N2 O4'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   39.365(2)
_cell_length_b                   10.1470(10)
_cell_length_c                   9.9370(10)
_cell_volume                     3969.2(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_F_000             1696
_cod_data_source_file            mu0218.cif
_cod_data_source_block           mu0218b
_cod_original_cell_volume        3968.9
_cod_original_sg_symbol_H-M      Pccn
_cod_original_formula_sum        C8H12N2O4
_cod_database_code               2000270
Structure of vanadyl(IV) dihydrogenarsenate
Wang, S.-L.; Lee, W.-C.; Acta Crystallographica Section C 47 (1991) 1709–1711; doi:10.1107/S0108270191002214

data_2000271
_publ_section_title
;
 Structure of vanadyl(IV) dihydrogenarsenate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1709
_journal_page_last               1711
_journal_paper_doi               10.1107/S0108270191002214
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         'O1 V1,2(H2 As1 O4)'
_chemical_formula_sum            'As2 H4 O9 V'
_chemical_formula_weight         348.8
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1310(10)
_cell_length_b                   9.1310(10)
_cell_length_c                   8.146(3)
_cell_volume                     679.2(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    11.089
_exptl_crystal_density_diffrn    3.412
_exptl_crystal_F_000             660
_cod_data_source_file            cr0308.cif
_cod_data_source_block           cr0308a
_cod_original_cell_volume        679.1(4)
_cod_original_sg_symbol_H-M      'P 4/n c c {origin @  -1 @ n 1(c,n)}'
_cod_original_formula_sum        'H4 As2 O9 V1'
_cod_database_code               2000271
Structure of [<i>L</i>Fe(μ-MoO~4~)~3~Fe<i>L</i>].CH~2~Cl~2~.H~2~O (<i>L</i> = 1,4,7-trimethyl-1,4,7-triazacyclononane)
Lettko, K.; Liu, S.; Zubieta, J.; Acta Crystallographica Section C 47 (1991) 1723–1725; doi:10.1107/S0108270191002111

data_2000272
_publ_section_title
;
 Structure of [<i>L</i>Fe(\m-MoO~4~)~3~Fe<i>L</i>].CH~2~Cl~2~.H~2~O
 (<i>L</i> = 1,4,7-trimethyl-1,4,7-triazacyclononane)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1723
_journal_page_last               1725
_journal_paper_doi               10.1107/S0108270191002111
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C19 H46 Cl2 Fe2 Mo3 N6 O13'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.239(2)
_cell_length_b                   16.376(3)
_cell_length_c                   28.964(4)
_cell_volume                     7228.1(19)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.58
_exptl_crystal_density_diffrn    1.91
_exptl_crystal_F_000             4144
_cod_data_source_file            st0478.cif
_cod_data_source_block           st0478a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_cell_volume        7227.9(17)
_cod_original_sg_symbol_H-M      Pbca
_cod_original_formula_sum        'C19 H46 N6 Fe2 Mo3 O13 Cl2'
_cod_database_code               2000272
Hexaaquanickel(II) bis[1,2,3-benzenetricarboxylate(1–)] tetrahydrate
Pech, R.; Pickardt, J.; Acta Crystallographica Section C 47 (1991) 1731–1732; doi:10.1107/S0108270191001567

data_2000273
_publ_section_title
;
 Hexaaquanickel(II) bis[1,2,3-benzenetricarboxylate(1--)] tetrahydrate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1731
_journal_page_last               1732
_journal_paper_doi               10.1107/S0108270191001567
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C18 H30 Ni O22'
_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                93.10(2)
_cell_angle_beta                 92.850(10)
_cell_angle_gamma                117.690(10)
_cell_formula_units_Z            1
_cell_length_a                   6.6710(10)
_cell_length_b                   6.6830(10)
_cell_length_c                   16.357(3)
_cell_volume                     642.46(19)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    .783
_exptl_crystal_density_diffrn    1.7
_exptl_crystal_density_meas      1.7
_exptl_crystal_F_000             322
_cod_data_source_file            mu0234.cif
_cod_data_source_block           mu0234a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        642.64
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'Ni1 C18 O22 H30'
_cod_database_code               2000273
Structure of manganese acetate dihydrate
Cheng, C.-Y.; Wang, S.-L.; Acta Crystallographica Section C 47 (1991) 1734–1736; doi:10.1107/S0108270191002202

data_2000274
_publ_section_title
;
 Structure of manganese acetate dihydrate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1734
_journal_page_last               1736
_journal_paper_doi               10.1107/S0108270191002202
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         'C4 H6 Mn1 O4,2(H2 O1)'
_chemical_formula_sum            'C4 H10 Mn O6'
_chemical_formula_weight         209.1
_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                 114.18(3)
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   8.982(4)
_cell_length_b                   9.155(4)
_cell_length_c                   16.514(5)
_cell_volume                     1238.8(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.518
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_F_000             642
_cod_data_source_file            cr0307.cif
_cod_data_source_block           cr0307a
_cod_original_cell_volume        1239.0(10)
_cod_original_formula_sum        'C4 H10 Mn1 O6'
_cod_database_code               2000274
Structure of 6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile hydrogen bromide
Cody, V.; Wojtczak, A.; Acta Crystallographica Section C 47 (1991) 1742–1744; doi:10.1107/S0108270191000355

data_2000275
_publ_section_title
;
 Structure of 6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile hydrogen
 bromide
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1742
_journal_page_last               1744
_journal_paper_doi               10.1107/S0108270191000355
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C11 H8 Br N3 O'
_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_H-M   'P -1'
_cell_angle_alpha                76.53(2)
_cell_angle_beta                 75.40(2)
_cell_angle_gamma                74.36(2)
_cell_formula_units_Z            4
_cell_length_a                   7.827(2)
_cell_length_b                   9.796(2)
_cell_length_c                   15.548(4)
_cell_volume                     1093.4(5)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.7
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_F_000             552
_cod_data_source_file            cr0291.cif
_cod_data_source_block           cr0291a
_cod_original_cell_volume        1093.4(4)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C11 H8 Br1 N3 O1'
_cod_database_code               2000275