LMucko/crystallography-open-database huggingface dataset:
Structure of a dibenzo[<i>d</i>,<i>d</i>']benzo[1,2-<i>b</i>:4,3-<i>b</i>']dithiophene (DBBDT) complex with 7,7,8,8-tetracyano-<i>p</i>-quinodimethane (TCNQ)
Thorup, N.; Hjorth, M.; Larsen, J.; Bechgaard, K.; Acta Crystallographica Section C 48 (1992) 949–951; doi:10.1107/S0108270191012453

data_2000930
_publ_section_title
;
 Structure of a
 dibenzo[<i>d</i>,<i>d</i>']benzo[1,2-<i>b</i>:4,3-<i>b</i>']dithiophene
 (DBBDT) complex with 7,7,8,8-tetracyano-<i>p</i>-quinodimethane (TCNQ)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              949
_journal_page_last               951
_journal_paper_doi               10.1107/S0108270191012453
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C18 H10 S2,C12 H4 N4'
_chemical_formula_sum            'C30 H14 N4 S2'
_chemical_formula_weight         494.59
_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                 96.41(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.159(7)
_cell_length_b                   17.958(2)
_cell_length_c                   16.159(7)
_cell_volume                     4660(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.245
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_F_000             2032
_cod_data_source_file            ab0246.cif
_cod_data_source_block           ab0246a
_cod_database_code               2000930
Structure of (3<i>R</i>,6<i>S</i>,12b<i>R</i>)-6-cyanomethyl-3-ethyl-2-oxo-1,2,3,4,7,7a,12a,12b-octahydro-6<i>H</i>-indolo[2,3-<i>a</i>]quinolizine
Delboni, L. F.; Oliva, G.; Acta Crystallographica Section C 48 (1992) 953–955; doi:10.1107/S0108270191011617

data_2000931
_publ_section_title
;Structure of
 (3<i>R</i>,6<i>S</i>,12b<i>R</i>)-6-cyanomethyl-3-ethyl-2-oxo-1,2,3,4,7,7a,12a,12b-octahydro-6<i>H</i>-indolo[2,3-<i>a</i>]quinolizine
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              953
_journal_page_last               955
_journal_paper_doi               10.1107/S0108270191011617
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C19 H21 N3 O'
_chemical_formula_weight         307.40
_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                 104.18(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.200(7)
_cell_length_b                   16.795(2)
_cell_length_c                   16.6550(10)
_cell_volume                     3309(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.073
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_F_000             1312
_cod_data_source_file            li0101.cif
_cod_data_source_block           li0101a
_cod_original_cell_volume        3308(3)
_cod_original_formula_sum        'C19 H21 N3 O1'
_cod_database_code               2000931
Structure of (<i>E</i>)-4-hydroxyiminomethyl-1-(<i>p</i>-methoxyphenyl)imidazole
Martin-Ramos, J. D.; Reinoso, M. D.; Navarrete, A.; Acta Crystallographica Section C 48 (1992) 957–959; doi:10.1107/S0108270191012064

data_2000932
_publ_section_title
;
 Structure of
 (<i>E</i>)-4-hydroxyiminomethyl-1-(<i>p</i>-methoxyphenyl)imidazole
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              957
_journal_page_last               959
_journal_paper_doi               10.1107/S0108270191012064
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C11 H11 N3 O2'
_chemical_formula_weight         217.2
_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                 98.61(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.009(5)
_cell_length_b                   7.882(2)
_cell_length_c                   15.072(7)
_cell_volume                     1058.2(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.091
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_F_000             456
_cod_data_source_file            ka0007.cif
_cod_data_source_block           ka0007a
_cod_original_cell_volume        1058.3(8)
_cod_database_code               2000932
Structure of 5-phenyldibenzophosphole
Alyea, E. C.; Ferguson, G.; Gallagher, J. F.; Acta Crystallographica Section C 48 (1992) 959–961; doi:10.1107/S0108270191014105

data_2000933
_publ_section_title
;
 Structure of 5-phenyldibenzophosphole
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              959
_journal_page_last               961
_journal_paper_doi               10.1107/S0108270191014105
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H13 P'
_chemical_formula_weight         260.3
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.486(2)
_cell_length_b                   12.387(3)
_cell_length_c                   26.244(5)
_cell_volume                     2758.7(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.18
_exptl_crystal_density_diffrn    1.25
_exptl_crystal_F_000             1088
_cod_data_source_file            cd0078.cif
_cod_data_source_block           cd0078a
_cod_depositor_comments
;
 Marking two disorder assemblies after consulting the original publication.
 Atoms 'P(1A)' and 'P(1B)' were marked as belonging to disorder groups '1'
 and '2' of the disorder assembly 'A' with the occupancies of 0.89 and 0.11
 respectively; atoms 'P(2A)' and 'P(2B)' were marked as belonging to disorder
 groups '1' and '2' of the disorder assembly 'B' with the occupancies of
 0.95 and 0.05 respectively.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_cell_volume        2759.0(10)
_cod_original_formula_sum        'C18 H13 P1'
_cod_database_code               2000933
<i>N</i>-(4-Chlorobenzylidene)-2-(4-imidazolyl)ethylamine
Bocelli, G.; Cantoni, A.; Acta Crystallographica Section C 48 (1992) 961–963; doi:10.1107/S0108270191012623

data_2000934
_publ_section_title
;
 <i>N</i>-(4-Chlorobenzylidene)-2-(4-imidazolyl)ethylamine
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              961
_journal_page_last               963
_journal_paper_doi               10.1107/S0108270191012623
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H12 Cl N3'
_chemical_formula_weight         233.7
_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                110.98(3)
_cell_angle_beta                 105.54(2)
_cell_angle_gamma                94.45(3)
_cell_formula_units_Z            4
_cell_length_a                   13.768(2)
_cell_length_b                   9.947(2)
_cell_length_c                   9.825(3)
_cell_volume                     1187.7(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    2.68
_exptl_crystal_density_diffrn    1.30
_exptl_crystal_F_000             488
_cod_data_source_file            pa0238.cif
_cod_data_source_block           pa0238a
_cod_original_cell_volume        1187.7
_cod_original_formula_sum        'C12 H12 Cl1 N3'
_cod_database_code               2000934
Structure of a photoluminescent polyoxotungstoantimonate
Naruke, H.; Yamase, T.; Acta Crystallographica Section C 48 (1992) 597–599; doi:10.1107/S0108270191010478

data_2000939
_publ_section_title
;
 Structure of a photoluminescent polyoxotungstoantimonate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              597
_journal_page_last               599
_journal_paper_doi               10.1107/S0108270191010478
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'H1.5 K5.5,O24 Sb1 W6,6(H2 O1)'
_chemical_formula_sum            'H13.5 K5.5 O30 Sb W6'
_chemical_formula_weight         1933.48
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   13.672(3)
_cell_length_b                   13.672(3)
_cell_length_c                   12.908(5)
_cell_volume                     2089.6(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    18.225
_exptl_crystal_density_diffrn    3.07
_exptl_crystal_F_000             1706
_cod_data_source_file            as0506.cif
_cod_data_source_block           as0506a
_cod_original_cell_volume        2089.0(10)
_cod_original_formula_sum        'H13.5 K5.5 O30 Sb1 W6'
_cod_database_code               2000939
Structure of a barium perrhenate tetrahydrate
Macíček, J.; Todorov, T.; Acta Crystallographica Section C 48 (1992) 599–603; doi:10.1107/S0108270191011125

data_2000940
_publ_section_title
;
 Structure of a barium perrhenate tetrahydrate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              599
_journal_page_last               603
_journal_paper_doi               10.1107/S0108270191011125
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'Ba1,2(O4 Re1),4(H2 O1)'
_chemical_formula_sum            'Ba H8 O12 Re2'
_chemical_formula_weight         709.80
_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                 90.040(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.376(2)
_cell_length_b                   12.452(2)
_cell_length_c                   12.1730(10)
_cell_volume                     1118.0(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70930
_exptl_absorpt_coefficient_mu    25.43
_exptl_crystal_density_diffrn    4.216
_exptl_crystal_F_000             1240
_cod_data_source_file            ab0240.cif
_cod_data_source_block           ab0240a
_cod_original_cell_volume        1118
_cod_original_formula_sum        'Ba1 H8 O12 Re2'
_cod_database_code               2000940
Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K
Ichikawa, M.; Gustafsson, T.; Olovsson, I.; Acta Crystallographica Section C 48 (1992) 603–607; doi:10.1107/S0108270191011708

data_2000941
_publ_section_title
;
 Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              603
_journal_page_last               607
_journal_paper_doi               10.1107/S0108270191011708
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'D O8 Rb3 Se2'
_chemical_formula_weight         544.3
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-A 2ya'
_space_group_name_H-M_alt        'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.919(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4775(6)
_cell_length_b                   6.0856(11)
_cell_length_c                   15.4206(11)
_cell_volume                     958.4(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    22.4
_exptl_crystal_density_diffrn    3.773
_exptl_crystal_F_000             976
_cod_data_source_file            ab0220.cif
_cod_data_source_block           ab0220a
_cod_original_cell_volume        958.1(3)
_cod_original_formula_sum        'D1 O8 Rb3 Se2'
_cod_database_code               2000941
Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K
Ichikawa, M.; Gustafsson, T.; Olovsson, I.; Acta Crystallographica Section C 48 (1992) 603–607; doi:10.1107/S0108270191011708

data_2000942
_publ_section_title
;
 Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              603
_journal_page_last               607
_journal_paper_doi               10.1107/S0108270191011708
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'D O8 Rb3 Se2'
_chemical_formula_weight         544.3
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-A 2ya'
_space_group_name_H-M_alt        'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.827(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4019(7)
_cell_length_b                   6.0490(11)
_cell_length_c                   15.3206(14)
_cell_volume                     939.9(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    22.4
_exptl_crystal_density_diffrn    3.846
_exptl_crystal_F_000             976
_cod_data_source_file            ab0220.cif
_cod_data_source_block           ab0220b
_cod_original_formula_sum        'D1 O8 Rb3 Se2'
_cod_database_code               2000942
Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K
Ichikawa, M.; Gustafsson, T.; Olovsson, I.; Acta Crystallographica Section C 48 (1992) 603–607; doi:10.1107/S0108270191011708

data_2000943
_publ_section_title
;
 Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              603
_journal_page_last               607
_journal_paper_doi               10.1107/S0108270191011708
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'D O8 Rb3 Se2'
_chemical_formula_weight         544.3
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-A 2ya'
_space_group_name_H-M_alt        'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.816(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.3827(7)
_cell_length_b                   6.0390(11)
_cell_length_c                   15.2935(13)
_cell_volume                     935.0(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    22.4
_exptl_crystal_density_diffrn    3.866
_exptl_crystal_F_000             976
_cod_data_source_file            ab0220.cif
_cod_data_source_block           ab0220c
_cod_original_formula_sum        'D1 O8 Rb3 Se2'
_cod_database_code               2000943
Structure of lithium niobium nitride
Vennos, D. A.; DiSalvo, F. J.; Acta Crystallographica Section C 48 (1992) 610–612; doi:10.1107/S0108270191011654

data_2000944
_publ_section_title
;
 Structure of lithium niobium nitride
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              610
_journal_page_last               612
_journal_paper_doi               10.1107/S0108270191011654
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Li7 N4 Nb'
_chemical_formula_weight         197.49
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.8290(10)
_cell_length_b                   9.8290(10)
_cell_length_c                   9.8290(10)
_cell_volume                     949.6(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.28
_exptl_crystal_density_diffrn    2.77
_exptl_crystal_F_000             720
_cod_data_source_file            cr0379.cif
_cod_data_source_block           cr0379a
_cod_original_formula_sum        'Li7 N4 Nb1'
_cod_database_code               2000944
A monomeric cyclopentadienyl indium complex. Structure of [η^5^-(diphenylphosphino)tetramethylcyclopentadienyl]indium(I)
Schumann, H.; Ghodsi, T.; Esser, L.; Acta Crystallographica Section C 48 (1992) 618–620; doi:10.1107/S0108270191010442

data_2000945
_publ_section_title
;
 A monomeric cyclopentadienyl indium complex. Structure of
 [\h^5^-(diphenylphosphino)tetramethylcyclopentadienyl]indium(I)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              618
_journal_page_last               620
_journal_paper_doi               10.1107/S0108270191010442
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C21 H22 In P'
_chemical_formula_weight         420.20
_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                 99.754(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.6680(8)
_cell_length_b                   10.5890(10)
_cell_length_c                   15.097(3)
_cell_volume                     1838.3(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.35
_exptl_crystal_density_diffrn    1.52
_exptl_crystal_F_000             848
_cod_data_source_file            ab0237.cif
_cod_data_source_block           ab0237a
_cod_original_formula_sum        'C21 H22 In1 P1'
_cod_database_code               2000945
Structure of perchlorato[(2<i>S</i>,6<i>R</i>,9<i>S</i>,13<i>R</i>)-2,6,9,13-tetraazatetradecane]copper(II) perchlorate
Hsieh, Y.-L.; Lu, T.-H.; Liou, Y.-L.; Chung, C.-S.; Acta Crystallographica Section C 48 (1992) 620–623; doi:10.1107/S0108270191011174

data_2000946
_publ_section_title
;Structure of
 perchlorato[(2<i>S</i>,6<i>R</i>,9<i>S</i>,13<i>R</i>)-2,6,9,13-tetraazatetradecane]copper(II)
 perchlorate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              620
_journal_page_last               623
_journal_paper_doi               10.1107/S0108270191011174
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C10 H26 Cl1 Cu1 N4 O4,Cl1 O4'
_chemical_formula_sum            'C10 H26 Cl2 Cu N4 O8'
_chemical_formula_weight         464.79
_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                 90.8450(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4400(10)
_cell_length_b                   14.678(3)
_cell_length_c                   16.903(3)
_cell_volume                     1845.7(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7093
_exptl_absorpt_coefficient_mu    1.52
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_F_000             963.80
_cod_data_source_file            as0518.cif
_cod_data_source_block           as0518a
_cod_original_formula_sum        'C10 H26 Cl2 Cu1 N4 O8'
_cod_database_code               2000946
Adduct of two 1,8-naphthyridine molecules (one protonated) with tetrachloroferrate (III)
Barbaro, P.; Bianchini, C.; Fochi, M.; Masi, D.; Mealli, C.; Acta Crystallographica Section C 48 (1992) 625–627; doi:10.1107/S0108270191011149

data_2000947
_publ_section_title
;
 Adduct of two 1,8-naphthyridine molecules (one protonated) with
 tetrachloroferrate (III)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              625
_journal_page_last               627
_journal_paper_doi               10.1107/S0108270191011149
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C8 H7 N2,C8 H6 N2,Cl4 Fe1'
_chemical_formula_sum            'C16 H13 Cl4 Fe N4'
_chemical_formula_weight         458.9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.830(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.698(2)
_cell_length_b                   25.533(4)
_cell_length_c                   7.315(2)
_cell_volume                     1955.7(7)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    11.4
_exptl_crystal_density_diffrn    1.5588
_exptl_crystal_F_000             924
_cod_data_source_file            ge0274.cif
_cod_data_source_block           ge0274a
_cod_original_formula_sum        'C16 H13 Cl4 Fe1 N4'
_cod_database_code               2000947