LMucko/crystallography-open-database huggingface dataset:
Structure of the thallium-rich complex [(Tl18-crown-6)~4~CuBr~4~][TlBr~4~]~2~
Kahwa, I. A.; Miller, D.; Mitchel, M.; Fronczek, F. R.; Acta Crystallographica Section C 49 (1993) 320–321; doi:10.1107/S0108270192007054

data_2001973
_publ_section_title
;
 Structure of the thallium-rich complex
 [(Tl18-crown-6)~4~CuBr~4~][TlBr~4~]~2~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              320
_journal_page_last               321
_journal_paper_doi               10.1107/S0108270192007054
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '4(C12 H24 O6 Tl1),Br4 Cu1,2(Br4 Tl1)'
_chemical_formula_sum            'C48 H96 Br12 Cu O24 Tl6'
_chemical_formula_weight         3306.0
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F 2 2 3'
_symmetry_space_group_name_H-M   'F 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.897(2)
_cell_length_b                   20.897(2)
_cell_length_c                   20.897(2)
_cell_volume                     9125.4(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    16.16
_exptl_crystal_density_diffrn    2.406
_exptl_crystal_density_meas      2.38
_exptl_crystal_F_000             6044
_cod_data_source_file            hh0592.cif
_cod_data_source_block           hh0592_structure_1_of_1
_cod_original_cell_volume        9125.6(9)
_cod_original_formula_sum        'C48 H96 Br12 Cu1 O24 Tl6'
_cod_database_code               2001973
Structure redetermination of carbonatobis(ethlenediamine)cobalt(III) chloride
García-Granda, S.; Calvo-Pérez, V.; Gómez-Beltrán, F.; Acta Crystallographica Section C 49 (1993) 322–324; doi:10.1107/S0108270192006085

data_2001974
_publ_section_title
;
 Structure redetermination of carbonatobis(ethlenediamine)cobalt(III)
 chloride
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              322
_journal_page_last               324
_journal_paper_doi               10.1107/S0108270192006085
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C5 H16 Cl Co N4 O3'
_chemical_formula_weight         274.59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.754(4)
_cell_length_b                   11.084(3)
_cell_length_c                   8.564(2)
_cell_volume                     1020.8(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.93
_exptl_crystal_density_diffrn    1.79
_exptl_crystal_F_000             568
_cod_data_source_file            hu0389.cif
_cod_data_source_block           hu0389_structure_1_of_1
_cod_original_formula_sum        'C5 H16 Cl1 Co1 N4 O3'
_cod_database_code               2001974
Structure of diaqua[1,8-bis(2-pyridyl)-3,6-dithiaoctane-<i>N</i>,<i>N'</i>,<i>S</i>,<i>S'</i>]nickel(II) diperchlorate at 243 K
Bermejo, E.; Castiñeiras, A.; Domínguez, R.; Strähle, J.; Hiller, W.; Acta Crystallographica Section C 49 (1993) 324–326; doi:10.1107/S0108270192006474

data_2001975
_publ_section_title
;Structure of
 diaqua[1,8-bis(2-pyridyl)-3,6-dithiaoctane-<i>N</i>,<i>N'</i>,<i>S</i>,<i>S'</i>]nickel(II)
 diperchlorate at 243 K
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              324
_journal_page_last               326
_journal_paper_doi               10.1107/S0108270192006474
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C16 H24 N2 Ni1 O2 S2,2(Cl1 O4)'
_chemical_formula_sum            'C16 H24 Cl2 N2 Ni O10 S2'
_chemical_formula_weight         598.12
_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                 107.480(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.6390(10)
_cell_length_b                   13.2160(10)
_cell_length_c                   15.698(2)
_cell_volume                     2303.2(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70930
_exptl_absorpt_coefficient_mu    1.3072
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_F_000             1232
_cod_data_source_file            sh1005.cif
_cod_data_source_block           sh1005a
_cod_original_cell_volume        2303.2
_cod_original_formula_sum        'C16 H24 Cl2 N2 Ni1 O10 S2'
_cod_database_code               2001975
Bis[bis(triphenylphosphine)iminium] decacarbonyldimolybdenum(<i>Mo{–</i>Mo})
Bachman, R. E.; Whitmire, K. H.; Acta Crystallographica Section C 49 (1993) 327–328; doi:10.1107/S0108270192006498

data_2001976
_publ_section_title
;
 Bis[bis(triphenylphosphine)iminium]
 decacarbonyldimolybdenum(<i>Mo{--</i>Mo})
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              327
_journal_page_last               328
_journal_paper_doi               10.1107/S0108270192006498
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '2(C36 H30 N1 P2),C10 Mo2 O10'
_chemical_formula_sum            'C82 H60 Mo2 N2 O10 P4'
_chemical_formula_weight         1549.16
_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                94.39(3)
_cell_angle_beta                 89.91(4)
_cell_angle_gamma                114.65(4)
_cell_formula_units_Z            2
_cell_length_a                   13.00(2)
_cell_length_b                   15.420(3)
_cell_length_c                   20.281(8)
_cell_volume                     3682(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.19
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_F_000             1580.0
_cod_data_source_file            hh0598.cif
_cod_data_source_block           hh0598_structure_1_of_1
_cod_original_cell_volume        3683
_cod_database_code               2001976
Structure of 4-(3,4-dihydroxyphenyl)-5-(<i>O</i>-β-<small>D</small>-galactopyranosyl)-7-methoxycoumarin trihydrate
Soriano-García, M.; Iribe, R. V.; Mendoza-Díaz, S.; del Rayo Camacho, M.; Mata, R.; Acta Crystallographica Section C 49 (1993) 329–330; doi:10.1107/S0108270192003974

data_2001977
_publ_section_title
;Structure of
 4-(3,4-dihydroxyphenyl)-5-(<i>O</i>-\b-<small>D</small>-galactopyranosyl)-7-methoxycoumarin
 trihydrate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              329
_journal_page_last               330
_journal_paper_doi               10.1107/S0108270192003974
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C22 H22 O11,3(H2 O1)'
_chemical_formula_sum            'C22 H28 O14'
_chemical_formula_weight         516.4
_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            8
_cell_length_a                   10.977(2)
_cell_length_b                   12.894(2)
_cell_length_c                   31.135(6)
_cell_volume                     4406.8(14)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    1.084
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_F_000             2176
_cod_data_source_file            ha0108.cif
_cod_data_source_block           ha0108_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        4407.0(10)
_cod_database_code               2001977
Structure of the highly crowded alkyne di[tris(trimethylsilyl)methyl]acetylene and the octasilane hexakis(trimethylsilyl)disilane
Fronczek, F. R.; Lickiss, P. D.; Acta Crystallographica Section C 49 (1993) 331–333; doi:10.1107/S0108270192002737

data_2001978
_publ_section_title
;
 Structure of the highly crowded alkyne
 di[tris(trimethylsilyl)methyl]acetylene and the octasilane
 hexakis(trimethylsilyl)disilane
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              331
_journal_page_last               333
_journal_paper_doi               10.1107/S0108270192002737
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H54 Si6'
_chemical_formula_weight         487.2
_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                68.207(13)
_cell_angle_beta                 74.837(14)
_cell_angle_gamma                59.858(9)
_cell_formula_units_Z            1
_cell_length_a                   9.0383(10)
_cell_length_b                   9.3596(9)
_cell_length_c                   11.855(3)
_cell_volume                     801.8(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.262
_exptl_crystal_density_diffrn    1.009
_exptl_crystal_F_000             270
_cod_data_source_file            he0040.cif
_cod_data_source_block           he0040_structure_1_of_2
_cod_original_cell_volume        801.8(2)
_cod_database_code               2001978
Structure of the highly crowded alkyne di[tris(trimethylsilyl)methyl]acetylene and the octasilane hexakis(trimethylsilyl)disilane
Fronczek, F. R.; Lickiss, P. D.; Acta Crystallographica Section C 49 (1993) 331–333; doi:10.1107/S0108270192002737

data_2001979
_publ_section_title
;
 Structure of the highly crowded alkyne
 di[tris(trimethylsilyl)methyl]acetylene and the octasilane
 hexakis(trimethylsilyl)disilane
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              331
_journal_page_last               333
_journal_paper_doi               10.1107/S0108270192002737
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C18 H54 Si8'
_chemical_formula_weight         495.3
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_formula_units_Z            6
_cell_length_a                   16.154(2)
_cell_length_b                   16.154(2)
_cell_length_c                   22.859(3)
_cell_volume                     5165.9(11)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    3.011
_exptl_crystal_density_diffrn    0.955
_exptl_crystal_F_000             1644
_cod_data_source_file            he0040.cif
_cod_data_source_block           he0040_structure_2_of_2
_cod_original_cell_volume        5166.1(13)
_cod_original_sg_symbol_H-M      'R -3 c {hexagonal axes}'
_cod_database_code               2001979
Structures of benzo[<i>a</i>]phenothiazine and benzo[<i>c</i>]phenothiazine
Yoshida, S.; Matsuzawa, H.; Kozawa, K.; Uchida, T.; Acta Crystallographica Section C 49 (1993) 333–336; doi:10.1107/S0108270192005596

data_2001980
_publ_section_title
;
 Structures of benzo[<i>a</i>]phenothiazine and
 benzo[<i>c</i>]phenothiazine
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              333
_journal_page_last               336
_journal_paper_doi               10.1107/S0108270192005596
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C16 H11 N S'
_chemical_formula_weight         249.3
_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                 91.710(10)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   25.269(2)
_cell_length_b                   23.347(2)
_cell_length_c                   8.306(2)
_cell_volume                     4898.0(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.23
_exptl_crystal_density_diffrn    1.37
_exptl_crystal_density_meas      1.39
_exptl_crystal_F_000             2080
_cod_data_source_file            as0593.cif
_cod_data_source_block           as0593_structure_1_of_2
_cod_original_cell_volume        4898.0(10)
_cod_original_formula_sum        'C16 H11 N1 S1'
_cod_database_code               2001980
Structures of benzo[<i>a</i>]phenothiazine and benzo[<i>c</i>]phenothiazine
Yoshida, S.; Matsuzawa, H.; Kozawa, K.; Uchida, T.; Acta Crystallographica Section C 49 (1993) 333–336; doi:10.1107/S0108270192005596

data_2001981
_publ_section_title
;
 Structures of benzo[<i>a</i>]phenothiazine and
 benzo[<i>c</i>]phenothiazine
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              333
_journal_page_last               336
_journal_paper_doi               10.1107/S0108270192005596
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C16 H11 N S'
_chemical_formula_weight         249.3
_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                 95.480(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.703(3)
_cell_length_b                   5.365(2)
_cell_length_c                   11.5230(10)
_cell_volume                     1212.5(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.23
_exptl_crystal_density_diffrn    1.37
_exptl_crystal_density_meas      1.39
_exptl_crystal_F_000             520
_cod_data_source_file            as0593.cif
_cod_data_source_block           as0593_structure_2_of_2
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-17

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-02
;
_cod_original_cell_volume        1212.5(4)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C16 H11 N1 S1'
_cod_database_code               2001981
Structure of (<i>S</i>,<i>S</i>)-(<i>E</i>)-3-(2-butenoyl)-2,4-bis(phenylmethyl)oxazolidine
Hardgrove, Jnr, G. L.; Clark, J. S.; Hanson, R. M.; Thieu, A. Q.; Acta Crystallographica Section C 49 (1993) 336–338; doi:10.1107/S0108270192004761

data_2001982
_publ_section_title
;Structure of
 (<i>S</i>,<i>S</i>)-(<i>E</i>)-3-(2-butenoyl)-2,4-bis(phenylmethyl)oxazolidine
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              336
_journal_page_last               338
_journal_paper_doi               10.1107/S0108270192004761
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C21 H23 N O2'
_chemical_formula_weight         321.4
_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                 99.24(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.752(5)
_cell_length_b                   9.442(6)
_cell_length_c                   9.894(7)
_cell_volume                     899.2(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.068
_exptl_crystal_density_diffrn    1.19
_exptl_crystal_density_meas      1.16(2)
_exptl_crystal_F_000             344
_cod_data_source_file            gr0191.cif
_cod_data_source_block           gr0191_structure_1_of_1
_cod_original_cell_volume        899(7)
_cod_original_formula_sum        'C21 H23 N1 O2'
_cod_database_code               2001982
Structure of 6-(3,3-dimethyl-2-oxo-2,3-dihydro-5-furanyl)-2-pyridone at 145 K
Maverick, E.; Chiefari, J.; Lightner, D. A.; Acta Crystallographica Section C 49 (1993) 338–340; doi:10.1107/S0108270192005675

data_2001983
_publ_section_title
;
 Structure of 6-(3,3-dimethyl-2-oxo-2,3-dihydro-5-furanyl)-2-pyridone
 at 145 K
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              338
_journal_page_last               340
_journal_paper_doi               10.1107/S0108270192005675
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C11 H11 N O3'
_chemical_formula_weight         205.21
_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                101.370(10)
_cell_angle_beta                 102.630(10)
_cell_angle_gamma                102.830(10)
_cell_formula_units_Z            2
_cell_length_a                   5.7250(10)
_cell_length_b                   9.0380(10)
_cell_length_c                   10.401(2)
_cell_volume                     494.67(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_crystal_density_diffrn    1.38
_exptl_crystal_F_000             216
_cod_data_source_file            st1000.cif
_cod_data_source_block           st1000_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        494.67
_cod_original_formula_sum        'C11 H11 N1 O3'
_cod_database_code               2001983
Structure of the germacrane furanosesquiterpenoid linderane
Okada, K.; Koyama, H.; Acta Crystallographica Section C 49 (1993) 341–343; doi:10.1107/S010827019200595X

data_2001984
_publ_section_title
;
 Structure of the germacrane furanosesquiterpenoid linderane
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              341
_journal_page_last               343
_journal_paper_doi               10.1107/S010827019200595X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C15 H16 O4'
_chemical_formula_weight         260.3
_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                   13.633(3)
_cell_length_b                   9.102(2)
_cell_length_c                   10.153(2)
_cell_volume                     1259.9(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.093
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_meas      1.367
_exptl_crystal_F_000             552
_cod_data_source_file            as0584.cif
_cod_data_source_block           as0584_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-06-17
;
_cod_original_cell_volume        1260
_cod_database_code               2001984
Structure of 3-benzoylamino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrocoumarin
Leban, I.; Kočevar, M.; Verček, B.; Acta Crystallographica Section C 49 (1993) 343–345; doi:10.1107/S010827019200444X

data_2001985
_publ_section_title
;
 Structure of
 3-benzoylamino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrocoumarin
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              343
_journal_page_last               345
_journal_paper_doi               10.1107/S010827019200444X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C18 H17 N1 O4'
_chemical_formula_sum            'C18 H17 N O4'
_chemical_formula_weight         311.34
_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_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.340(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.782(2)
_cell_length_b                   18.496(3)
_cell_length_c                   12.439(3)
_cell_volume                     1539.7(6)
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.0890
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_F_000             656
_cod_data_source_file            ab1004.cif
_cod_data_source_block           ab1004a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-19
;
_cod_original_cell_volume        1539.7(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C18 H17 N1 O4'
_cod_database_code               2001985