LMucko/crystallography-open-database huggingface dataset:
Structures of 4-methoxy-, 5-chloro-, 5-nitro- and 6-nitro-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide sodium salt (4-methoxy-, 5-chloro-, 5-nitro- and 6-nitrosaccharin)
Rudert, R.; Buschmann, J.; Luger, P.; Trummlitz, G.; Acta Crystallographica Section B 48 (1992) 269–275; doi:10.1107/S0108768191014738

data_2100779
_publ_section_title
;
 Structures of 4-methoxy-, 5-chloro-, 5-nitro- and
 6-nitro-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide sodium salt
 (4-methoxy-, 5-chloro-, 5-nitro- and 6-nitrosaccharin)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              269
_journal_page_last               275
_journal_paper_doi               10.1107/S0108768191014738
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C7 H3 N2 O5 S1,Na1,4(H2 O1)'
_chemical_formula_sum            'C7 H11 N2 Na O9 S'
_chemical_formula_weight         322.2
_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                72.69(4)
_cell_angle_beta                 74.33(4)
_cell_angle_gamma                75.29(3)
_cell_formula_units_Z            2
_cell_length_a                   12.827(5)
_cell_length_b                   7.276(3)
_cell_length_c                   7.616(4)
_cell_volume                     641.6(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.337
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_F_000             332
_cod_data_source_file            bx0565.cif
_cod_data_source_block           bx0565d
_cod_original_cell_volume        641.6(9)
_cod_original_formula_sum        'C7 H11 N2 Na1 O9 S1'
_cod_database_code               2100779
Structures of three biologically active conjugates of ω-amino acids and plant growth hormone (auxin)
Nigović, B.; Kojić-Prodić, B.; Puntarec, V.; Schagen, J. D.; Acta Crystallographica Section B 48 (1992) 297–302; doi:10.1107/S0108768191014155

data_2100780
_publ_section_title
;
 Structures of three biologically active conjugates of \w-amino acids
 and plant growth hormone (auxin)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              297
_journal_page_last               302
_journal_paper_doi               10.1107/S0108768191014155
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C13 H14 N2 O3'
_chemical_formula_weight         246.27
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_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                   9.114(2)
_cell_length_b                   23.933(4)
_cell_length_c                   11.034(4)
_cell_volume                     2406.8(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.092
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_F_000             1040
_cod_data_source_file            li0111.cif
_cod_data_source_block           li0111a
_cod_original_cell_volume        2406.8(9)
_cod_database_code               2100780
Structures of three biologically active conjugates of ω-amino acids and plant growth hormone (auxin)
Nigović, B.; Kojić-Prodić, B.; Puntarec, V.; Schagen, J. D.; Acta Crystallographica Section B 48 (1992) 297–302; doi:10.1107/S0108768191014155

data_2100781
_publ_section_title
;
 Structures of three biologically active conjugates of \w-amino acids
 and plant growth hormone (auxin)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              297
_journal_page_last               302
_journal_paper_doi               10.1107/S0108768191014155
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H16 N2 O3'
_chemical_formula_weight         260.29
_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                   5.0720(10)
_cell_length_b                   10.307(3)
_cell_length_c                   24.856(4)
_cell_volume                     1299.4(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.088
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_F_000             552
_cod_data_source_file            li0111.cif
_cod_data_source_block           li0111b
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        1299.3(4)
_cod_database_code               2100781
Structures of three biologically active conjugates of ω-amino acids and plant growth hormone (auxin)
Nigović, B.; Kojić-Prodić, B.; Puntarec, V.; Schagen, J. D.; Acta Crystallographica Section B 48 (1992) 297–302; doi:10.1107/S0108768191014155

data_2100782
_publ_section_title
;
 Structures of three biologically active conjugates of \w-amino acids
 and plant growth hormone (auxin)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              297
_journal_page_last               302
_journal_paper_doi               10.1107/S0108768191014155
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C16 H20 N2 O3'
_chemical_formula_weight         288.35
_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                102.07(6)
_cell_angle_beta                 104.36(5)
_cell_angle_gamma                107.02(7)
_cell_formula_units_Z            2
_cell_length_a                   9.058(3)
_cell_length_b                   9.693(5)
_cell_length_c                   9.843(5)
_cell_volume                     762.6(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.674
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_F_000             308
_cod_data_source_file            li0111.cif
_cod_data_source_block           li0111c
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        762.6(9)
_cod_database_code               2100782
Structure at 293 and 135 K of β-tetrakis[bis(ethylenedithio)tetrathiafulvalene] tetracyanoplatinate(II): β-[BEDT-TTF]~4~[Pt(CN)~4~]
Fettouhi, M.; Ouahab, L.; Grandjean, D.; Toupet, L.; Acta Crystallographica Section B 48 (1992) 275–280; doi:10.1107/S0108768191013769

data_2100783
_publ_section_title
;
 Structure at 293 and 135 K of
 \b-tetrakis[bis(ethylenedithio)tetrathiafulvalene]
 tetracyanoplatinate(II): \b-[BEDT-TTF]~4~[Pt(CN)~4~]
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              275
_journal_page_last               280
_journal_paper_doi               10.1107/S0108768191013769
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C44 H32 N4 Pt1 S32'
_chemical_formula_sum            'C44 H32 N4 Pt S32'
_chemical_formula_weight         1837.9
_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                76.90(5)
_cell_angle_beta                 81.52(5)
_cell_angle_gamma                62.88(5)
_cell_formula_units_Z            1
_cell_length_a                   9.721(7)
_cell_length_b                   11.127(6)
_cell_length_c                   16.552(8)
_cell_volume                     1550.0(17)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.364
_exptl_crystal_density_diffrn    1.969
_exptl_crystal_F_000             914
_cod_data_source_file            pa0242.cif
_cod_data_source_block           pa0242a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        1550
_cod_original_formula_sum        'C44 H32 N4 Pt1 S32'
_cod_database_code               2100783
Structure at 293 and 135 K of β-tetrakis[bis(ethylenedithio)tetrathiafulvalene] tetracyanoplatinate(II): β-[BEDT-TTF]~4~[Pt(CN)~4~]
Fettouhi, M.; Ouahab, L.; Grandjean, D.; Toupet, L.; Acta Crystallographica Section B 48 (1992) 275–280; doi:10.1107/S0108768191013769

data_2100784
_publ_section_title
;
 Structure at 293 and 135 K of
 \b-tetrakis[bis(ethylenedithio)tetrathiafulvalene]
 tetracyanoplatinate(II): \b-[BEDT-TTF]~4~[Pt(CN)~4~]
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              275
_journal_page_last               280
_journal_paper_doi               10.1107/S0108768191013769
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C44 H32 N4 Pt1 S32'
_chemical_formula_sum            'C44 H32 N4 Pt S32'
_chemical_formula_weight         1837.9
_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                77.12(3)
_cell_angle_beta                 81.84(4)
_cell_angle_gamma                62.70(3)
_cell_formula_units_Z            1
_cell_length_a                   9.693(4)
_cell_length_b                   10.890(4)
_cell_length_c                   16.521(5)
_cell_volume                     1509.1(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.455
_exptl_crystal_density_diffrn    2.022
_exptl_crystal_F_000             914
_cod_data_source_file            pa0242.cif
_cod_data_source_block           pa0242b
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        1509
_cod_original_formula_sum        'C44 H32 N4 Pt1 S32'
_cod_database_code               2100784
1,2-Naphthalenedicarboxylic acid: structures of channel clathrates and an unsolvated crystalline phase
Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.; Acta Crystallographica Section B 48 (1992) 290–297; doi:10.1107/S0108768191013654

data_2100785
_publ_section_title
;
 1,2-Naphthalenedicarboxylic acid: structures of channel clathrates and
 an unsolvated crystalline phase
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              290
_journal_page_last               297
_journal_paper_doi               10.1107/S0108768191013654
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H8 O4'
_chemical_formula_weight         216.19
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   22.086(3)
_cell_length_b                   22.086(3)
_cell_length_c                   9.463(3)
_cell_volume                     4616(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.088
_exptl_crystal_density_diffrn    1.24
_exptl_crystal_F_000             1792
_cod_data_source_file            st0547.cif
_cod_data_source_block           st0547a
_cod_database_code               2100785
1,2-Naphthalenedicarboxylic acid: structures of channel clathrates and an unsolvated crystalline phase
Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.; Acta Crystallographica Section B 48 (1992) 290–297; doi:10.1107/S0108768191013654

data_2100786
_publ_section_title
;
 1,2-Naphthalenedicarboxylic acid: structures of channel clathrates and
 an unsolvated crystalline phase
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              290
_journal_page_last               297
_journal_paper_doi               10.1107/S0108768191013654
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H8 O4'
_chemical_formula_weight         216.19
_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                106.080(10)
_cell_angle_beta                 90.790(10)
_cell_angle_gamma                111.800(10)
_cell_formula_units_Z            2
_cell_length_a                   9.0270(10)
_cell_length_b                   9.2340(10)
_cell_length_c                   7.2560(10)
_cell_volume                     534.97(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.095
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_F_000             224
_cod_data_source_file            st0547.cif
_cod_data_source_block           st0547b
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        535.00(10)
_cod_database_code               2100786
Positive indentification of two orthorhombic polymorphs of sulfamerazine (C~11~H~12~N~4~O~2~S), their thermal analyses and structural comparison
Caria, M. R.; Mohamed, R.; Acta Crystallographica Section B 48 (1992) 492–498; doi:10.1107/S0108768192000910

data_2100787
_publ_section_title
;
 Positive indentification of two orthorhombic polymorphs of
 sulfamerazine (C~11~H~12~N~4~O~2~S), their thermal analyses and
 structural comparison
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              492
_journal_page_last               498
_journal_paper_doi               10.1107/S0108768192000910
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C11 H12 N4 O2 S'
_chemical_formula_weight         264.3
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.474(2)
_cell_length_b                   21.953(2)
_cell_length_c                   8.2030(10)
_cell_volume                     2606.5(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.237
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_meas      1.340(10)
_exptl_crystal_F_000             1104
_cod_data_source_file            ab0256.cif
_cod_data_source_block           ab0256a
_cod_original_formula_sum        'C11 H12 N4 O2 S1'
_cod_database_code               2100787
Structure refinement of commensurately modulated bismuth strontium tantalate, Bi~2~SrTa~2~O~9~
Rae, A. D.; Thompson, J. G.; Withers, R. L.; Acta Crystallographica Section B 48 (1992) 418–428; doi:10.1107/S0108768192001654

data_2100788
_publ_section_title
;
 Structure refinement of commensurately modulated bismuth strontium
 tantalate, Bi~2~SrTa~2~O~9~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              418
_journal_page_last               428
_journal_paper_doi               10.1107/S0108768192001654
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Bi2 O9 Sr Ta2'
_chemical_formula_weight         1011.47
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'p -2 2a'
_symmetry_space_group_name_H-M   'A 21 a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5306(5)
_cell_length_b                   5.5344(5)
_cell_length_c                   24.984(2)
_cell_volume                     764.72(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    80.68
_exptl_crystal_density_diffrn    8.785
_exptl_crystal_F_000             1688
_cod_data_source_file            al0520.cif
_cod_data_source_block           al0520a
_cod_original_cell_volume        764.7
_cod_original_formula_sum        'Bi2 O9 Sr1 Ta2'
_cod_database_code               2100788
Crystal and molecular structures of propanediamine complexed with <small>L</small>- and <small>DL</small>-glutamic acid: effect of chirality on propanediamine
Ramaswamy, S.; Murthy, M. R. N.; Acta Crystallographica Section B 48 (1992) 488–492; doi:10.1107/S010876819200065X

data_2100789
_publ_section_title
;
 Crystal and molecular structures of propanediamine complexed with
 <small>L</small>- and <small>DL</small>-glutamic acid: effect of
 chirality on propanediamine
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              488
_journal_page_last               492
_journal_paper_doi               10.1107/S010876819200065X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C3 H12 N2,2(C5 H8 N1 O4)'
_chemical_formula_sum            'C13 H28 N4 O8'
_chemical_formula_weight         368.4
_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                   5.1990(10)
_cell_length_b                   16.8320(10)
_cell_length_c                   20.076(3)
_cell_volume                     1756.8(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.11
_exptl_crystal_density_diffrn    1.39
_exptl_crystal_F_000             792
_cod_data_source_file            as0537.cif
_cod_data_source_block           as0537a
_cod_original_cell_volume        1756.6(4)
_cod_database_code               2100789
Crystal and molecular structures of propanediamine complexed with <small>L</small>- and <small>DL</small>-glutamic acid: effect of chirality on propanediamine
Ramaswamy, S.; Murthy, M. R. N.; Acta Crystallographica Section B 48 (1992) 488–492; doi:10.1107/S010876819200065X

data_2100790
_publ_section_title
;
 Crystal and molecular structures of propanediamine complexed with
 <small>L</small>- and <small>DL</small>-glutamic acid: effect of
 chirality on propanediamine
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              488
_journal_page_last               492
_journal_paper_doi               10.1107/S010876819200065X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C3 H12 N2,2(C5 H8 N1 O4)'
_chemical_formula_sum            'C13 H28 N4 O8'
_chemical_formula_weight         368.4
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.219(2)
_cell_length_b                   5.1690(10)
_cell_length_c                   22.457(4)
_cell_volume                     1766.6(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.11
_exptl_crystal_density_diffrn    1.38
_exptl_crystal_F_000             792
_cod_data_source_file            as0537.cif
_cod_data_source_block           as0537b
_cod_database_code               2100790
Electron-density distribution in crystals of 1,4,7,10,13,16-hexaazacyclooctadecanecobalt(III) trichloride, <i>meso</i>-[Co(hexaen)]Cl~3~ at 106 K
Morooka, M.; Ohba, S.; Toriumi, K.; Acta Crystallographica Section B 48 (1992) 459–463; doi:10.1107/S0108768192002714

data_2100791
_publ_section_title
;
 Electron-density distribution in crystals of
 1,4,7,10,13,16-hexaazacyclooctadecanecobalt(III) trichloride,
 <i>meso</i>-[Co(hexaen)]Cl~3~ at 106 K
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              459
_journal_page_last               463
_journal_paper_doi               10.1107/S0108768192002714
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H30 Cl3 Co N6'
_chemical_formula_weight         423.7
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.25360(10)
_cell_length_b                   9.25360(10)
_cell_length_c                   16.7028(5)
_cell_volume                     1238.63(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    1.532
_exptl_crystal_density_diffrn    1.70
_exptl_crystal_F_000             666
_cod_data_source_file            as0590.cif
_cod_data_source_block           as0590a
_cod_original_formula_sum        'C12 H30 Cl3 Co1 N6'
_cod_database_code               2100791