LMucko/crystallography-open-database huggingface dataset:
Structure of <i>trans</i>-diiodobis(methyl phenyl telluride)platinum(II)
Levason, W.; Webster, M.; Mitchell, C. J.; Acta Crystallographica Section C 48 (1992) 1931–1933; doi:10.1107/S0108270192003354

data_2000426
_publ_section_title
;
 Structure of <i>trans</i>-diiodobis(methyl phenyl
 telluride)platinum(II)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1931
_journal_page_last               1933
_journal_paper_doi               10.1107/S0108270192003354
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H16 I2 Pt Te2'
_chemical_formula_weight         888.37
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 136.48(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.807(6)
_cell_length_b                   9.5480(10)
_cell_length_c                   24.192(6)
_cell_volume                     3787(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    13.72
_exptl_crystal_density_diffrn    3.116
_exptl_crystal_density_meas      3.04(2)
_exptl_crystal_F_000             3104
_cod_data_source_file            mu0295.cif
_cod_data_source_block           mu0295a
_cod_original_cell_volume        3786.7
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_original_formula_sum        'C14 H16 I2 Pt1 Te2'
_cod_database_code               2000426
Structure of copper(II) salicylates: bis(3-pyridylmethanol)bis(salicylato)copper(II)
Hoang, N. N.; Valach, F.; Macášková, L.; Melník, M.; Acta Crystallographica Section C 48 (1992) 1933–1936; doi:10.1107/S0108270192003263

data_2000427
_publ_section_title
;
 Structure of copper(II) salicylates:
 bis(3-pyridylmethanol)bis(salicylato)copper(II)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1933
_journal_page_last               1936
_journal_paper_doi               10.1107/S0108270192003263
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C26 H24 Cu N2 O8'
_chemical_formula_weight         556.03
_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            4
_cell_length_a                   12.9470(10)
_cell_length_b                   9.401(3)
_cell_length_c                   20.005(3)
_cell_volume                     2434.9(9)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    1.6949
_exptl_crystal_density_diffrn    1.52
_exptl_crystal_density_meas      1.50
_exptl_crystal_F_000             1148
_cod_data_source_file            al0524.cif
_cod_data_source_block           al0524a
_cod_original_cell_volume        2435.16
_cod_original_formula_sum        'C26 H24 Cu1 N2 O8'
_cod_database_code               2000427
Structure of a one-dimensional Br-bridged Pt^II^-Pt^IV^ mixed-valence complex, <i>catena</i>-poly[bis(ethylenediamine)platinum(II,IV)-μ-bromo bis(hydrogensulfate)]
Matsushita, N.; Taga, T.; Tsujikawa, I.; Acta Crystallographica Section C 48 (1992) 1936–1939; doi:10.1107/S0108270192003457

data_2000428
_publ_section_title
;
 Structure of a one-dimensional Br-bridged Pt^II^-Pt^IV^ mixed-valence
 complex,
 <i>catena</i>-poly[bis(ethylenediamine)platinum(II,IV)-\m-bromo
 bis(hydrogensulfate)]
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1936
_journal_page_last               1939
_journal_paper_doi               10.1107/S0108270192003457
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C8 H32 Br2 N8 Pt2,4(H1 O4 S1)'
_chemical_formula_sum            'C8 H36 Br2 N8 O16 Pt2 S4'
_chemical_formula_weight         1178.65
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.263(2)
_cell_length_b                   14.317(3)
_cell_length_c                   11.036(5)
_cell_volume                     1463.6(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    12.64
_exptl_crystal_density_diffrn    2.67
_exptl_crystal_F_000             1116
_cod_data_source_file            as0571.cif
_cod_data_source_block           as0571a
_cod_database_code               2000428
Effect of the protonation and of the <i>ortho</i> substitution on the structure of aryliminophosphoranes
Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Molina, P.; Alajarín, M.; Vidal, A.; Acta Crystallographica Section C 48 (1992) 1940–1945; doi:10.1107/S0108270192001811

data_2000429
_publ_section_title
;
 Effect of the protonation and of the <i>ortho</i> substitution on the
 structure of aryliminophosphoranes
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1940
_journal_page_last               1945
_journal_paper_doi               10.1107/S0108270192001811
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C24 H21 N1 P1,B1 F4'
_chemical_formula_sum            'C24 H21 B F4 N P'
_chemical_formula_weight         441.21
_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_Hall           'P -2yac'
_space_group_name_H-M_alt        'P 1 n 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.824(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.6077(18)
_cell_length_b                   9.0071(3)
_cell_length_c                   10.0690(4)
_cell_volume                     2192.0(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    1.5009
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_F_000             912
_cod_data_source_file            al0527.cif
_cod_data_source_block           al0527a
_cod_original_sg_symbol_H-M      'P n'
_cod_original_formula_sum        'C24 H21 B1 F4 N1 P1'
_cod_database_code               2000429
Effect of the protonation and of the <i>ortho</i> substitution on the structure of aryliminophosphoranes
Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Molina, P.; Alajarín, M.; Vidal, A.; Acta Crystallographica Section C 48 (1992) 1940–1945; doi:10.1107/S0108270192001811

data_2000430
_publ_section_title
;
 Effect of the protonation and of the <i>ortho</i> substitution on the
 structure of aryliminophosphoranes
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1940
_journal_page_last               1945
_journal_paper_doi               10.1107/S0108270192001811
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C24 H21 N2 P'
_chemical_formula_weight         368.42
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.437(3)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   30.4088(15)
_cell_length_b                   11.5561(3)
_cell_length_c                   22.9996(10)
_cell_volume                     7921.7(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    1.2805
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_F_000             3104
_cod_data_source_file            al0527.cif
_cod_data_source_block           al0527b
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_original_formula_sum        'C24 H21 N2 P1'
_cod_database_code               2000430
Structure of an <i>anti</i>-aldol addition product of benzaldehyde and a pseudoephedrine-derived <i>O</i>-silyl ketene <i>N</i>,<i>O</i>-acetal
Marsh, R. E.; Schaefer, W. P.; Widdowson, K. L.; Myers, A. G.; Acta Crystallographica Section C 48 (1992) 1948–1951; doi:10.1107/S0108270192002233

data_2000431
_publ_section_title
;
 Structure of an <i>anti</i>-aldol addition product of benzaldehyde and
 a pseudoephedrine-derived <i>O</i>-silyl ketene
 <i>N</i>,<i>O</i>-acetal
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1948
_journal_page_last               1951
_journal_paper_doi               10.1107/S0108270192002233
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C22 H29 N O3 Si'
_chemical_formula_weight         383.56
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.83(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.550(3)
_cell_length_b                   17.318(6)
_cell_length_c                   20.129(6)
_cell_volume                     2256.2(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.118
_exptl_crystal_density_diffrn    1.13
_exptl_crystal_F_000             824
_cod_data_source_file            hh0589.cif
_cod_data_source_block           hh0589a
_cod_original_cell_volume        2256.2(14)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C22 H29 N1 O3 Si1'
_cod_database_code               2000431
Structure of thiamine bromide sesquihydrate
Hu, N.-H.; Zhang, S.-L.; Acta Crystallographica Section C 48 (1992) 1951–1954; doi:10.1107/S0108270192002257

data_2000432
_publ_section_title
;
 Structure of thiamine bromide sesquihydrate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1951
_journal_page_last               1954
_journal_paper_doi               10.1107/S0108270192002257
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C12 H17 N4 O1 S1,Br1,1.5(H2 O1)'
_chemical_formula_sum            'C12 H20 Br N4 O3 S'
_chemical_formula_weight         372.28
_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                 113.74(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.676(2)
_cell_length_b                   24.819(7)
_cell_length_c                   12.344(3)
_cell_volume                     3274.4(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.62
_exptl_crystal_density_diffrn    1.51
_exptl_crystal_F_000             1528
_cod_data_source_file            as0586.cif
_cod_data_source_block           as0586a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-17

 Correcting the values of atom label data items. The value of the
 _geom_angle_atom_site_label_2 data item was changed from 'S1B)' to 'S(1B)'.
 The value of the _geom_angle_atom_site_label_3 data item was changed 
 from 'C51A)' to 'C(51A)'. The value of the _geom_bond_atom_site_label_1 data
 item was changed from 'C(2'A_)' to 'C(2'A)'.

 Antanas Vaitkus,
 2018-06-17

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-06-17

 Marking atoms 'C(51B)', 'C(52B)', 'O(53B)', 'O(W3)' and 'C(51B)', 'C(52B)',
 'O(53B)', 'O(W3)' as belonging to disorder sites '1' and '2' with the
 occupancies of 0.7 and 0.3 respectively.

 Antanas Vaitkus,
 2018-06-17
;
_cod_original_cell_volume        3274.0(10)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C12 H20 Br1 N4 O3 S1'
_cod_database_code               2000432
Structure of (17α)-androstano[3,4-<i>c</i>][1,2,5]oxadiazole-17-ol (HS963)
Maes, D.; Fiddelaers, P.; Wyns, L.; Lisgarten, J.; Lisgarten, D.; Palmer, R.; Acta Crystallographica Section C 48 (1992) 1954–1957; doi:10.1107/S010827019200252X

data_2000433
_publ_section_title
;
 Structure of (17\a)-androstano[3,4-<i>c</i>][1,2,5]oxadiazole-17-ol
 (HS963)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1954
_journal_page_last               1957
_journal_paper_doi               10.1107/S010827019200252X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C19 H28 N2 O2'
_chemical_formula_weight         316
_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                   10.231(7)
_cell_length_b                   11.171(7)
_cell_length_c                   14.759(5)
_cell_volume                     1686.8(17)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.557
_exptl_crystal_density_diffrn    1.24
_exptl_crystal_F_000             688
_cod_data_source_file            he0046.cif
_cod_data_source_block           he0046a
_cod_original_cell_volume        1687
_cod_database_code               2000433
Structure of an adenine-hydrogen peroxide adduct
Serra, M. A.; Dorner, B. K.; Silver, M. E.; Acta Crystallographica Section C 48 (1992) 1957–1960; doi:10.1107/S0108270192002294

data_2000434
_publ_section_title
;
 Structure of an adenine-hydrogen peroxide adduct
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1957
_journal_page_last               1960
_journal_paper_doi               10.1107/S0108270192002294
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C5 H5 N5,H2 O2'
_chemical_formula_sum            'C5 H7 N5 O2'
_chemical_formula_weight         169.14
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.55(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.939(3)
_cell_length_b                   10.697(4)
_cell_length_c                   14.920(4)
_cell_volume                     1392.6(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.1209
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_F_000             704
_cod_data_source_file            cr0391.cif
_cod_data_source_block           cr0391a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        1392.5(7)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2000434
Structure of <i>p</i>-hydroxybenzoic acid and <i>p</i>-hydroxybenzoic acid-acetone complex (2/1)
Heath, E. A.; Singh, P.; Ebisuzaki, Y.; Acta Crystallographica Section C 48 (1992) 1960–1965; doi:10.1107/S0108270192002361

data_2000435
_publ_section_title
;
 Structure of <i>p</i>-hydroxybenzoic acid and <i>p</i>-hydroxybenzoic
 acid-acetone complex (2/1)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1960
_journal_page_last               1965
_journal_paper_doi               10.1107/S0108270192002361
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C7 H6 O3'
_chemical_formula_weight         138.1
_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                 93.22(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.508(7)
_cell_length_b                   5.228(2)
_cell_length_c                   6.342(3)
_cell_volume                     612.7(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.11
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_meas      1.525
_exptl_crystal_F_000             288
_cod_data_source_file            cr0372.cif
_cod_data_source_block           cr0372a
_cod_database_code               2000435
Structure of <i>p</i>-hydroxybenzoic acid and <i>p</i>-hydroxybenzoic acid-acetone complex (2/1)
Heath, E. A.; Singh, P.; Ebisuzaki, Y.; Acta Crystallographica Section C 48 (1992) 1960–1965; doi:10.1107/S0108270192002361

data_2000436
_publ_section_title
;
 Structure of <i>p</i>-hydroxybenzoic acid and <i>p</i>-hydroxybenzoic
 acid-acetone complex (2/1)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1960
_journal_page_last               1965
_journal_paper_doi               10.1107/S0108270192002361
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C7 H6 O3),C3 H6 O1'
_chemical_formula_sum            'C17 H18 O7'
_chemical_formula_weight         334.3
_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                 92.47(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.093(8)
_cell_length_b                   7.232(2)
_cell_length_c                   9.699(2)
_cell_volume                     1688.4(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.11
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_meas      1.3081(2)
_exptl_crystal_F_000             704
_cod_data_source_file            cr0372.cif
_cod_data_source_block           cr0372b
_cod_original_cell_volume        1688.0(10)
_cod_database_code               2000436
Structure of the white-line-inducing principle isolated from <i>Pseudomonas reactans</i>
Han, F.; Mortishire-Smith, R. J.; Rainey, P. B.; Williams, D. H.; Acta Crystallographica Section C 48 (1992) 1965–1968; doi:10.1107/S0108270192001690

data_2000437
_publ_section_title
;
 Structure of the white-line-inducing principle isolated from
 <i>Pseudomonas reactans</i>
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1965
_journal_page_last               1968
_journal_paper_doi               10.1107/S0108270192001690
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C54 H95 N9 O17'
_chemical_formula_weight         1159.41
_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                   14.2300(10)
_cell_length_b                   24.370(5)
_cell_length_c                   18.780(2)
_cell_volume                     6512.6(16)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.06
_exptl_crystal_density_diffrn    1.16
_exptl_crystal_F_000             2468
_cod_data_source_file            cr0373.cif
_cod_data_source_block           cr0373a
_cod_original_cell_volume        6512.6(11)
_cod_database_code               2000437
Structures of two crystal forms of the host-guest complex between <i>trans</i>-3,3'-bis(diphenylhydroxymethyl)azobenzene and acetone
Hamada, K.; Oh-hira, M.; Fujiwara, T.; Toda, F.; Acta Crystallographica Section C 48 (1992) 1969–1971; doi:10.1107/S0108270192002245

data_2000438
_publ_section_title
;
 Structures of two crystal forms of the host-guest complex between
 <i>trans</i>-3,3'-bis(diphenylhydroxymethyl)azobenzene and acetone
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1969
_journal_page_last               1971
_journal_paper_doi               10.1107/S0108270192002245
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C19 H15 N1 O1,C3 H6 O1'
_chemical_formula_sum            'C22 H21 N O2'
_chemical_formula_weight         331.4
_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                98.90(2)
_cell_angle_beta                 122.06(2)
_cell_angle_gamma                96.67(2)
_cell_formula_units_Z            2
_cell_length_a                   10.076(2)
_cell_length_b                   12.346(3)
_cell_length_c                   9.154(2)
_cell_volume                     926.3(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.565
_exptl_crystal_density_diffrn    1.188
_exptl_crystal_density_meas      1.185
_exptl_crystal_F_000             352
_cod_data_source_file            as0561.cif
_cod_data_source_block           as0561a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_formula_sum        'C22 H21 N1 O2'
_cod_database_code               2000438