LMucko/crystallography-open-database huggingface dataset:
Structure of an organic photochromic compound. 6,7,8a,9-Tetrahydro-17,17-dimethylnaphtho[1'',2'':5',6'][1,4]oxazino[3',2':2,3][1,4]oxazino[4,3-<i>a</i>][3<i>H</i>]indole
Hu, A. T.; Wang, M.-S.; Wang, S.-L.; Acta Crystallographica Section C 49 (1993) 509–511; doi:10.1107/S0108270192008187

data_2001869
_publ_section_title
;Structure of an organic photochromic compound.
 6,7,8a,9-Tetrahydro-17,17-dimethylnaphtho[1'',2'':5',6'][1,4]oxazino[3',2':2,3][1,4]oxazino[4,3-<i>a</i>][3<i>H</i>]indole
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              509
_journal_page_last               511
_journal_paper_doi               10.1107/S0108270192008187
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C23 H22 N2 O2'
_chemical_formula_weight         358.4
_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                90.0
_cell_angle_beta                 105.68(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   13.215(3)
_cell_length_b                   9.3210(10)
_cell_length_c                   15.600(4)
_cell_volume                     1850.1(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.077
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_F_000             760
_cod_data_source_file            ha1012.cif
_cod_data_source_block           ha1012_structure_1_of_1
_cod_original_cell_volume        1850.0(7)
_cod_database_code               2001869
Determination of the stereochemistry of oxandran-3-one; a novel methyltriterpene from <i>Oxandra asbeckii</i> (Annonaceae)
Tinto, W. F.; Blair, L. C.; Lough, A. J.; McLean, S.; Reynolds, W. F.; Acta Crystallographica Section C 49 (1993) 511–514; doi:10.1107/S010827019200800X

data_2001870
_publ_section_title
;
 Determination of the stereochemistry of oxandran-3-one; a novel
 methyltriterpene from <i>Oxandra asbeckii</i> (Annonaceae)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              511
_journal_page_last               514
_journal_paper_doi               10.1107/S010827019200800X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C31 H50 O2'
_chemical_formula_weight         454.7
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.135(3)
_cell_length_b                   17.639(4)
_cell_length_c                   21.454(7)
_cell_volume                     2700.1(16)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     .70930
_exptl_absorpt_coefficient_mu    0.06
_exptl_crystal_density_diffrn    1.12
_exptl_crystal_F_000             1008
_cod_data_source_file            cd1003.cif
_cod_data_source_block           cd1003_structure_1_of_1
_cod_database_code               2001870
Functionalized hydrocarbons with condensed ring skeletons. XI. Tetramethyl tricyclo[8.4.0.0^2,7^]tetradeca-1,8-diene-5,5,12,12-tetracarboxylate and its corresponding tetradec-8-ene
Drouin, M.; Michel-Dewez, N.; Michel, A. G.; Acta Crystallographica Section C 49 (1993) 514–517; doi:10.1107/S0108270192008151

data_2001871
_publ_section_title
;
 Functionalized hydrocarbons with condensed ring skeletons. XI.
 Tetramethyl
 tricyclo[8.4.0.0^2,7^]tetradeca-1,8-diene-5,5,12,12-tetracarboxylate
 and its corresponding tetradec-8-ene
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              514
_journal_page_last               517
_journal_paper_doi               10.1107/S0108270192008151
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H28 O8'
_chemical_formula_weight         418.44
_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                 95.680(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.8478(4)
_cell_length_b                   20.0952(9)
_cell_length_c                   13.3666(3)
_cell_volume                     2097.60(15)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    0.80
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_F_000             887.91
_cod_data_source_file            du0312.cif
_cod_data_source_block           du0312_structure_1_of_2
_cod_depositor_comments
;
 Correcting the chemical summary formula by changing it from 'C22 H26 O8' to
 'C22 H28 O8' after consulting the original publication.

 Antanas Vaitkus,
 2018-06-17

 Correcting the space group by changing it from 'P 1 21/c 1' to 'P 1 21/a 1'
 after consulting the original publication.

 Antanas Vaitkus,
 2018-06-17
;
_cod_original_cell_volume        2097.6
_cod_original_sg_symbol_H-M      'P 21/ c'
_cod_database_code               2001871
Functionalized hydrocarbons with condensed ring skeletons. XI. Tetramethyl tricyclo[8.4.0.0^2,7^]tetradeca-1,8-diene-5,5,12,12-tetracarboxylate and its corresponding tetradec-8-ene
Drouin, M.; Michel-Dewez, N.; Michel, A. G.; Acta Crystallographica Section C 49 (1993) 514–517; doi:10.1107/S0108270192008151

data_2001872
_publ_section_title
;
 Functionalized hydrocarbons with condensed ring skeletons. XI.
 Tetramethyl
 tricyclo[8.4.0.0^2,7^]tetradeca-1,8-diene-5,5,12,12-tetracarboxylate
 and its corresponding tetradec-8-ene
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              514
_journal_page_last               517
_journal_paper_doi               10.1107/S0108270192008151
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H30 O8'
_chemical_formula_weight         422.48
_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'
_cell_angle_alpha                90
_cell_angle_beta                 93.183(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.0842(2)
_cell_length_b                   12.7171(7)
_cell_length_c                   27.8011(16)
_cell_volume                     2147.75(19)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    0.79
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_F_000             903.9
_cod_data_source_file            du0312.cif
_cod_data_source_block           du0312_structure_2_of_2
_cod_depositor_comments
;
 Correcting the space group by changing it from 'P 1 21/a 1' to 'P 1 21/c 1'
 after consulting the original publication.

 Antanas Vaitkus,
 2018-06-17
;
_cod_original_cell_volume        2147.75
_cod_original_sg_symbol_H-M      'P 21/ a'
_cod_database_code               2001872
Structure of (±)-egenine
Dokurno, P.; Gdaniec, M.; Kosturkiewicz, Z.; Matecka, D.; Rozwadowska, M. D.; Acta Crystallographica Section C 49 (1993) 517–519; doi:10.1107/S0108270192007509

data_2001873
_publ_section_title
;
 Structure of (+-)-egenine
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              517
_journal_page_last               519
_journal_paper_doi               10.1107/S0108270192007509
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C20 H19 N O6'
_chemical_formula_weight         369.4
_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                89.73(3)
_cell_angle_beta                 74.52(3)
_cell_angle_gamma                71.95(3)
_cell_formula_units_Z            4
_cell_length_a                   10.833(2)
_cell_length_b                   13.184(3)
_cell_length_c                   13.375(3)
_cell_volume                     1744.0(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.830
_exptl_crystal_density_diffrn    1.407
_exptl_crystal_F_000             776
_cod_data_source_file            se1008.cif
_cod_data_source_block           se1008_structure_1_of_1
_cod_original_formula_sum        'C20 H19 N1 O6'
_cod_database_code               2001873
Structure of ethyl phenyl selenone
Hoier, H.; Carrell, H. L.; Glusker, J. P.; Spears, C. P.; Acta Crystallographica Section C 49 (1993) 520–523; doi:10.1107/S0108270192008230

data_2001874
_publ_section_title
;
 Structure of ethyl phenyl selenone
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              520
_journal_page_last               523
_journal_paper_doi               10.1107/S0108270192008230
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C8 H10 O2 Se'
_chemical_formula_weight         217.13
_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                 91.31(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.511(2)
_cell_length_b                   15.741(3)
_cell_length_c                   11.467(2)
_cell_volume                     1716.3(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.19
_exptl_crystal_density_diffrn    1.68
_exptl_crystal_F_000             864
_cod_data_source_file            st1004.cif
_cod_data_source_block           st1004_structure_1_of_1
_cod_original_formula_sum        'C8 H10 O2 Se1'
_cod_database_code               2001874
Structure of the molecular complex of anthracene with 1,8:4,5-naphthalenetetracarboxylic dianhydride
Hoier, H.; Zacharias, D. E.; Carrell, H. L.; Glusker, J. P.; Acta Crystallographica Section C 49 (1993) 523–526; doi:10.1107/S0108270192007388

data_2001875
_publ_section_title
;
 Structure of the molecular complex of anthracene with
 1,8:4,5-naphthalenetetracarboxylic dianhydride
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              523
_journal_page_last               526
_journal_paper_doi               10.1107/S0108270192007388
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C14 H4 O6,C14 H10'
_chemical_formula_sum            'C28 H14 O6'
_chemical_formula_weight         446.42
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.90(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.572(10)
_cell_length_b                   7.727(4)
_cell_length_c                   7.398(4)
_cell_volume                     982.9(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.100
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_F_000             460
_cod_data_source_file            st1003.cif
_cod_data_source_block           st1003_structure_1_of_1
_cod_database_code               2001875
Structure of 4-(5-cyano-2-furyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Kožíšek, J.; Paulus, H.; Marchalín, Š.; Ilavský, D.; Acta Crystallographica Section C 49 (1993) 526–528; doi:10.1107/S0108270192010862

data_2001876
_publ_section_title
;
 Structure of
 4-(5-cyano-2-furyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              526
_journal_page_last               528
_journal_paper_doi               10.1107/S0108270192010862
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C14 H10 N4 O'
_chemical_formula_weight         250.26
_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                 120.474(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.293(3)
_cell_length_b                   8.099(2)
_cell_length_c                   13.815(3)
_cell_volume                     1281.9(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_density_meas      1.26(2)
_exptl_crystal_F_000             520
_cod_data_source_file            mu0297.cif
_cod_data_source_block           mu0297_structure_1_of_1
_cod_original_formula_sum        'C14 H10 N4 O1'
_cod_database_code               2001876
Structure of 12b-hydroxy-5-methyl-1,2,3,4,4a,5,6,12b-octahydro-12<i>H</i>-benzo[<i>a</i>]xanthen-12-one
Letcher, R. M.; Cheung, K.-K.; Yue, T.-Y.; Acta Crystallographica Section C 49 (1993) 528–530; doi:10.1107/S0108270192009132

data_2001877
_publ_section_title
;Structure of
 12b-hydroxy-5-methyl-1,2,3,4,4a,5,6,12b-octahydro-12<i>H</i>-benzo[<i>a</i>]xanthen-12-one
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              528
_journal_page_last               530
_journal_paper_doi               10.1107/S0108270192009132
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C18 H20 O3'
_chemical_formula_weight         284.35
_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                101.53(3)
_cell_angle_beta                 99.57(3)
_cell_angle_gamma                95.43(2)
_cell_formula_units_Z            2
_cell_length_a                   7.505(2)
_cell_length_b                   8.805(2)
_cell_length_c                   11.443(4)
_cell_volume                     724.2(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.0816
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_F_000             304
_cod_data_source_file            hu1012.cif
_cod_data_source_block           hu1012_structure-1_of_1
_cod_original_cell_volume        724.3(9)
_cod_database_code               2001877
Structure of 5,6,11,12-tetrahydro-2,5,8,11-tetramethylphenomazine
Prasad, S. M.; Narayan, S. P.; Mandal, D. K.; Gupta, S. C.; Acta Crystallographica Section C 49 (1993) 531–533; doi:10.1107/S0108270192004384

data_2001878
_publ_section_title
;
 Structure of 5,6,11,12-tetrahydro-2,5,8,11-tetramethylphenomazine
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              531
_journal_page_last               533
_journal_paper_doi               10.1107/S0108270192004384
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C18 H22 N2'
_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                 105.420(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.130(2)
_cell_length_b                   7.390(8)
_cell_length_c                   20.770(3)
_cell_volume                     1498.9(17)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_density_diffrn    1.17
_exptl_crystal_F_000             576
_cod_data_source_file            cr0269.cif
_cod_data_source_block           cr0269
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1498.9
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        C18H22N2
_cod_database_code               2001878
Dimanganese octacarbonyl complexes with bridging phosphanido ligands
Flörke, U.; Haupt, H.-J.; Acta Crystallographica Section C 49 (1993) 533–535; doi:10.1107/S0108270192007443

data_2001879
_publ_section_title
;
 Dimanganese octacarbonyl complexes with bridging phosphanido ligands
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              533
_journal_page_last               535
_journal_paper_doi               10.1107/S0108270192007443
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C32 H44 Mn2 O8 P2'
_chemical_formula_weight         728.5
_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                109.76(2)
_cell_angle_beta                 93.30(2)
_cell_angle_gamma                114.320(10)
_cell_formula_units_Z            1
_cell_length_a                   8.945(2)
_cell_length_b                   10.098(2)
_cell_length_c                   11.376(3)
_cell_volume                     857.7(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.84
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_F_000             380
_cod_data_source_file            se0088.cif
_cod_data_source_block           se0088_structure_1_of_2
_cod_original_cell_volume        857.7
_cod_database_code               2001879
Dimanganese octacarbonyl complexes with bridging phosphanido ligands
Flörke, U.; Haupt, H.-J.; Acta Crystallographica Section C 49 (1993) 533–535; doi:10.1107/S0108270192007443

data_2001880
_publ_section_title
;
 Dimanganese octacarbonyl complexes with bridging phosphanido ligands
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              533
_journal_page_last               535
_journal_paper_doi               10.1107/S0108270192007443
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C20 H12 Mn2 O8 P2'
_chemical_formula_weight         552.1
_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                100.160(10)
_cell_angle_beta                 99.430(10)
_cell_angle_gamma                106.220(10)
_cell_formula_units_Z            1
_cell_length_a                   6.8480(10)
_cell_length_b                   8.720(2)
_cell_length_c                   10.805(2)
_cell_volume                     594.1(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.20
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_F_000             276
_cod_data_source_file            se0088.cif
_cod_data_source_block           se0088_structure_2_of_2
_cod_original_cell_volume        594.1
_cod_database_code               2001880
Redetermination of the structure of <i>trans</i>-tetraamminebis(thiocyanato-<i>N</i>)nickel(II)
Ďurčanská, E.; Kožíšek, J.; Ďurík, J.; Kettmann, V.; Acta Crystallographica Section C 49 (1993) 535–536; doi:10.1107/S0108270192007121

data_2001881
_publ_section_title
;
 Redetermination of the structure of
 <i>trans</i>-tetraamminebis(thiocyanato-<i>N</i>)nickel(II)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              535
_journal_page_last               536
_journal_paper_doi               10.1107/S0108270192007121
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C2 H12 N6 Ni S2'
_chemical_formula_weight         243.0
_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
_cell_angle_beta                 75.42(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.359(9)
_cell_length_b                   8.128(7)
_cell_length_c                   5.608(5)
_cell_volume                     501.1(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.27
_exptl_crystal_density_diffrn    1.61
_exptl_crystal_density_meas      1.5940(10)
_exptl_crystal_F_000             252
_cod_data_source_file            mu0288.cif
_cod_data_source_block           mu0288_structure_1_of_1
_cod_original_cell_volume        501.1(8)
_cod_original_formula_sum        'C2 H12 N6 Ni1 S2'
_cod_database_code               2001881
Structure of bis(4-methylpyridine-<i>N</i>)copper(I) bromide
Jedrzejas, M. J.; Martuch, R. A.; Towns, R. L. R.; Baker, R. J.; Duraj, S. A.; Hepp, A. F.; Acta Crystallographica Section C 49 (1993) 536–538; doi:10.1107/S0108270192006279

data_2001882
_publ_section_title
;
 Structure of bis(4-methylpyridine-<i>N</i>)copper(I) bromide
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              536
_journal_page_last               538
_journal_paper_doi               10.1107/S0108270192006279
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C12 H14 Br Cu N2'
_chemical_formula_weight         329.71
_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                102.34(3)
_cell_angle_beta                 112.33(3)
_cell_angle_gamma                95.09(4)
_cell_formula_units_Z            2
_cell_length_a                   9.254(7)
_cell_length_b                   9.736(3)
_cell_length_c                   7.955(3)
_cell_volume                     636.1(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.710326
_exptl_absorpt_coefficient_mu    9.6128
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_density_meas      1.8
_exptl_crystal_F_000             328
_cod_data_source_file            sp1000.cif
_cod_data_source_block           sp1000_structure_1_of_1
_cod_original_cell_volume        636.2(6)
_cod_original_formula_sum        'C12 H14 Br1 Cu1 N2'
_cod_database_code               2001882