LMucko/crystallography-open-database huggingface dataset:
Molecular co-crystals of carboxylic acids. 10. Structure of the 1:1 adduct of triphenylphosphine oxide with (pentachlorophenoxy)acetic acid
Lynch, D. E.; Smith, G.; Byriel, K. A.; Kennard, C. H. L.; Acta Crystallographica Section C 49 (1993) 285–288; doi:10.1107/S0108270192005572

data_2001959
_publ_section_title
;
 Molecular co-crystals of carboxylic acids. 10. Structure of the 1:1
 adduct of triphenylphosphine oxide with (pentachlorophenoxy)acetic
 acid
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              285
_journal_page_last               288
_journal_paper_doi               10.1107/S0108270192005572
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C18 H15 O1 P1,C8 H3 Cl5 O3'
_chemical_formula_sum            'C26 H18 Cl5 O4 P'
_chemical_formula_weight         602.7
_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                92.21(3)
_cell_angle_beta                 108.48(3)
_cell_angle_gamma                106.10(3)
_cell_formula_units_Z            2
_cell_length_a                   10.185(6)
_cell_length_b                   12.036(5)
_cell_length_c                   12.194(6)
_cell_volume                     1349.0(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.63
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_F_000             612
_cod_data_source_file            hl1007.cif
_cod_data_source_block           hl1007_structure_1_of_1
_cod_original_cell_volume        1349.0(10)
_cod_original_formula_sum        'C26 H18 Cl5 O4 P1'
_cod_database_code               2001959
Structure of 4-[4'-(dimethylamino)phenylazo]phenyl acrylate (1) and 4-[4'-(dimethylamino)phenylazo]phenyl methacrylate (2)
Meetsma, A.; Boer, T. S.; Haitjema, H. J.; Tan, Y. Y.; Acta Crystallographica Section C 49 (1993) 288–292; doi:10.1107/S0108270192007029

data_2001960
_publ_section_title
;
 Structure of 4-[4'-(dimethylamino)phenylazo]phenyl acrylate (1) and
 4-[4'-(dimethylamino)phenylazo]phenyl methacrylate (2)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              288
_journal_page_last               292
_journal_paper_doi               10.1107/S0108270192007029
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C18 H19 N3 O2'
_chemical_formula_sum            'C18 H19 N3 O2'
_chemical_formula_weight         309.37
_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                 117.66(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.949(5)
_cell_length_b                   6.8040(10)
_cell_length_c                   22.893(5)
_cell_volume                     3304.1(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.224
_exptl_crystal_F_000             1312
_cod_data_source_file            ab1013.cif
_cod_data_source_block           ab1013_structure_1_of_2
_cod_database_code               2001960
Structure of 4-[4'-(dimethylamino)phenylazo]phenyl acrylate (1) and 4-[4'-(dimethylamino)phenylazo]phenyl methacrylate (2)
Meetsma, A.; Boer, T. S.; Haitjema, H. J.; Tan, Y. Y.; Acta Crystallographica Section C 49 (1993) 288–292; doi:10.1107/S0108270192007029

data_2001961
_publ_section_title
;
 Structure of 4-[4'-(dimethylamino)phenylazo]phenyl acrylate (1) and
 4-[4'-(dimethylamino)phenylazo]phenyl methacrylate (2)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              288
_journal_page_last               292
_journal_paper_doi               10.1107/S0108270192007029
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C17 H17 N3 O2'
_chemical_formula_sum            'C17 H17 N3 O2'
_chemical_formula_weight         295.34
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   23.345(2)
_cell_length_b                   40.671(4)
_cell_length_c                   6.5610(10)
_cell_volume                     6229.4(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_F_000             2496
_cod_data_source_file            ab1013.cif
_cod_data_source_block           ab1013_structure_2_of_2
_cod_database_code               2001961
Structure of (4-bromophenyl)propiolic acid and its unusual hydrogen-bonding pattern
Goud, B. S.; Desiraju, G. R.; Acta Crystallographica Section C 49 (1993) 292–294; doi:10.1107/S0108270192007807

data_2001962
_publ_section_title
;
 Structure of (4-bromophenyl)propiolic acid and its unusual
 hydrogen-bonding pattern
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              292
_journal_page_last               294
_journal_paper_doi               10.1107/S0108270192007807
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C9 H5 Br O2'
_chemical_formula_weight         225.04
_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                 91.79(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.91(2)
_cell_length_b                   6.141(2)
_cell_length_c                   34.44(3)
_cell_volume                     827(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.870
_exptl_crystal_density_diffrn    1.81
_exptl_crystal_F_000             440
_cod_data_source_file            gr0206.cif
_cod_data_source_block           gr0206_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        827.2(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C9 H5 Br1 O2'
_cod_database_code               2001962
Structure of benfotiamine hemihydrate
Shin, W.; Cho, S. W.; Chae, C. H.; Acta Crystallographica Section C 49 (1993) 294–298; doi:10.1107/S0108270192006905

data_2001963
_publ_section_title
;
 Structure of benfotiamine hemihydrate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              294
_journal_page_last               298
_journal_paper_doi               10.1107/S0108270192006905
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C19 H23 N4 O6 P1 S1,0.5(H2 O1)'
_chemical_formula_sum            'C19 H24 N4 O6.5 P S'
_chemical_formula_weight         475.5
_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                 105.52(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.822(5)
_cell_length_b                   18.556(6)
_cell_length_c                   14.429(5)
_cell_volume                     4340(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    2.41
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_F_000             1992
_cod_data_source_file            hh1007.cif
_cod_data_source_block           hh1007_structure_1_of_1
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-11-30
;
_cod_original_cell_volume        4340.0(10)
_cod_original_formula_sum        'C19 H24 N4 O6.5 P1 S1'
_cod_database_code               2001963
2,2,6,6-Tetramethylpiperidine-1-oxyl-4-yl α-<small>D</small>-glucopyranoside
Hempel, A.; Camerman, N.; Hamodrakas, S. J.; Ottensmeyer, F. P.; Troganis, A.; Stassinopoulou, C. I.; Camerman, A.; Acta Crystallographica Section C 49 (1993) 298–300; doi:10.1107/S0108270192006929

data_2001964
_publ_section_title
;
 2,2,6,6-Tetramethylpiperidine-1-oxyl-4-yl
 \a-<small>D</small>-glucopyranoside
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              298
_journal_page_last               300
_journal_paper_doi               10.1107/S0108270192006929
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C15 H28 N O7'
_chemical_formula_weight         334.39
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.19(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.239(4)
_cell_length_b                   14.475(6)
_cell_length_c                   6.404(3)
_cell_volume                     856.3(7)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.766
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_density_meas      1.297
_exptl_crystal_F_000             362
_cod_data_source_file            br1005.cif
_cod_data_source_block           br1005_structure_1_of_1
_cod_original_cell_volume        856.25
_cod_original_formula_sum        'C15 H28 N1 O7'
_cod_database_code               2001964
Structure of debrisoquinium sulfate
Bates, P. A.; Islam, S. A.; Sternberg, M. J. E.; Acta Crystallographica Section C 49 (1993) 300–303; doi:10.1107/S010827019200893X

data_2001965
_publ_section_title
;
 Structure of debrisoquinium sulfate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              300
_journal_page_last               303
_journal_paper_doi               10.1107/S010827019200893X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '2(C10 H14 N3),O4 S'
_chemical_formula_sum            'C20 H28 N6 O4 S'
_chemical_formula_weight         448.5
_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                 113.35(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.214(10)
_cell_length_b                   6.5520(10)
_cell_length_c                   13.2410(10)
_cell_volume                     2167.6(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.181
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_F_000             952
_cod_data_source_file            li1020.cif
_cod_data_source_block           li1020_structure_1_of_1
_cod_original_cell_volume        2168.0(10)
_cod_database_code               2001965
Structures of derivatives of the Diels–Alder adduct 1,4,4a,5,8,8a,9a,10a-octahydro-1,4:5,8-dimethano-9,10-anthraquinone
Alex, G.; Srinivasan, S.; Bakthavatchalam, R.; Ramadas, S. R.; Varghese, B.; Acta Crystallographica Section C 49 (1993) 303–307; doi:10.1107/S0108270192007996

data_2001966
_publ_section_title
;
 Structures of derivatives of the Diels--Alder adduct
 1,4,4a,5,8,8a,9a,10a-octahydro-1,4:5,8-dimethano-9,10-anthraquinone
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              303
_journal_page_last               307
_journal_paper_doi               10.1107/S0108270192007996
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C18 H20 O3'
_chemical_formula_sum            'C18 H20 O3'
_chemical_formula_weight         284.37
_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                   12.036(3)
_cell_length_b                   28.753(3)
_cell_length_c                   8.451(3)
_cell_volume                     2924.6(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.081
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_density_meas      1.28
_exptl_crystal_F_000             1216
_cod_data_source_file            cd0067.cif
_cod_data_source_block           cd0067_structure_1_of_2
_cod_original_cell_volume        2924.96
_cod_original_sg_symbol_H-M      'P bca'
_cod_database_code               2001966
Structures of derivatives of the Diels–Alder adduct 1,4,4a,5,8,8a,9a,10a-octahydro-1,4:5,8-dimethano-9,10-anthraquinone
Alex, G.; Srinivasan, S.; Bakthavatchalam, R.; Ramadas, S. R.; Varghese, B.; Acta Crystallographica Section C 49 (1993) 303–307; doi:10.1107/S0108270192007996

data_2001967
_publ_section_title
;
 Structures of derivatives of the Diels--Alder adduct
 1,4,4a,5,8,8a,9a,10a-octahydro-1,4:5,8-dimethano-9,10-anthraquinone
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              303
_journal_page_last               307
_journal_paper_doi               10.1107/S0108270192007996
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C18 H22 O5'
_chemical_formula_sum            'C18 H22 O5'
_chemical_formula_weight         318.37
_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                 92.170(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7410(10)
_cell_length_b                   20.477(2)
_cell_length_c                   9.8900(10)
_cell_volume                     1768.9(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.677
_exptl_crystal_density_diffrn    1.195
_exptl_crystal_density_meas      1.18
_exptl_crystal_F_000             680
_cod_data_source_file            cd0067.cif
_cod_data_source_block           cd0067_structure_2_of_2
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1768.93
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2001967
The absolute configuration of (+)-2-benzyl-2-[<i>N</i>-(α-phenylethyl)amino]cyclohexanone hydrochloride
Platzbecker, R.; Will, G.; Hümmer, K.; Weckert, E.; Lauktien, G.; Frahm, A. W.; Acta Crystallographica Section C 49 (1993) 307–310; doi:10.1107/S0108270192008965

data_2001968
_publ_section_title
;
 The absolute configuration of
 (+)-2-benzyl-2-[<i>N</i>-(\a-phenylethyl)amino]cyclohexanone
 hydrochloride
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              307
_journal_page_last               310
_journal_paper_doi               10.1107/S0108270192008965
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C21 H26 N1 O1,Cl1'
_chemical_formula_sum            'C21 H26 Cl N O'
_chemical_formula_weight         343.73
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5880(10)
_cell_length_b                   11.7000(10)
_cell_length_c                   18.130(2)
_cell_volume                     1821.7(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.139
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_F_000             736
_cod_data_source_file            bx0563.cif
_cod_data_source_block           bx0563_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        1821.7(4)
_cod_original_formula_sum        'C21 H26 Cl1 N1 O1'
_cod_database_code               2001968
Structure of 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone
Vittal, J. J.; Willis, C. J.; Acta Crystallographica Section C 49 (1993) 310–313; doi:10.1107/S0108270192008515

data_2001969
_publ_section_title
;
 Structure of
 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              310
_journal_page_last               313
_journal_paper_doi               10.1107/S0108270192008515
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C9 H6 F12 O3'
_chemical_formula_weight         390.13
_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                 99.390(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.7240(10)
_cell_length_b                   10.2650(10)
_cell_length_c                   11.350(2)
_cell_volume                     1347.6(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    2.28
_exptl_crystal_density_diffrn    1.923
_exptl_crystal_density_meas      1.923(2)
_exptl_crystal_F_000             768
_cod_data_source_file            cd1006.cif
_cod_data_source_block           cd1006_structure_1_of_1
_cod_database_code               2001969
Reinvestigation of the structure of [Y(H~2~O)~5~(NO~3~)~2~][Y(H~2~O)~2~(NO~3~)~4~]
Ribár, B.; Kapor, A.; Scott, B.; Willett, R. D.; Acta Crystallographica Section C 49 (1993) 314–316; doi:10.1107/S0108270192005687

data_2001970
_publ_section_title
;
 Reinvestigation of the structure of
 [Y(H~2~O)~5~(NO~3~)~2~][Y(H~2~O)~2~(NO~3~)~4~]
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              314
_journal_page_last               316
_journal_paper_doi               10.1107/S0108270192005687
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'H14 N6 O25 Y2'
_chemical_formula_weight         675.94
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.295(2)
_cell_length_b                   11.029(3)
_cell_length_c                   20.010(4)
_cell_volume                     2051.3(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    5.788
_exptl_crystal_density_diffrn    2.188
_exptl_crystal_F_000             1336
_cod_data_source_file            ka1002.cif
_cod_data_source_block           ka1002_structure_1_of_1
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-01-30

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-30
;
_cod_database_code               2001970
Caesium nitrate (II) at 296 K
Pohl, D.; Gross, T.; Acta Crystallographica, Section C: Crystal Structure Communications 49 (1993) 316–318; doi:10.1107/S0108270192006504

data_2001971
_publ_section_title
;
 Caesium nitrate (II) at 296 K
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   2
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              316
_journal_page_last               318
_journal_paper_doi               10.1107/S0108270192006504
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Cs N O3'
_chemical_formula_weight         194.91
_space_group_crystal_system      trigonal
_space_group_IT_number           144
_space_group_name_Hall           'P 31'
_space_group_name_H-M_alt        'P 31'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            9
_cell_length_a                   10.902(2)
_cell_length_b                   10.902(2)
_cell_length_c                   7.740(2)
_cell_volume                     796.7(3)
_diffrn_radiation_type           Ag
_diffrn_radiation_wavelength     0.56087
_exptl_absorpt_coefficient_mu    5.44
_exptl_crystal_density_diffrn    3.656(2)
_exptl_crystal_F_000             765
_cod_data_source_file            se0089.cif
_cod_data_source_block           se0089_structure_1_of_1
_cod_original_cell_volume        796.7(4)
_cod_original_formula_sum        'Cs1 N1 O3'
_cod_database_code               2001971
Structure of tetrakis(dimethylammonium) chloride hexachlorobismuthate(III), {[(CH~3~)~2~NH~2~]^+^}~4~.Cl^{‒^}.[BiCl~6~]^3{‒^}
Herdtweck, E.; Kreusel, U.; Acta Crystallographica Section C 49 (1993) 318–320; doi:10.1107/S0108270192007017

data_2001972
_publ_section_title
;
 Structure of tetrakis(dimethylammonium) chloride
 hexachlorobismuthate(III),
 {[(CH~3~)~2~NH~2~]^+^}~4~.Cl^{--^}.[BiCl~6~]^3{--^}
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              318
_journal_page_last               320
_journal_paper_doi               10.1107/S0108270192007017
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '4(C2 H8 N1), Cl1, Bi1 Cl6'
_chemical_formula_sum            'C8 H32 Bi Cl7 N4'
_chemical_formula_weight         641.5
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.3420(10)
_cell_length_b                   13.5100(10)
_cell_length_c                   8.6930(10)
_cell_volume                     1214.6(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    20.01
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_F_000             620
_cod_data_source_file            se1009.cif
_cod_data_source_block           se1009_structure_1_of_1
_cod_original_cell_volume        1215
_cod_original_formula_sum        'C8 H32 Bi1 Cl7 N4'
_cod_database_code               2001972