LMucko/crystallography-open-database huggingface dataset:
Structure of <i>N</i>-<i>tert</i>-butyloxycarbonyl-α-aminoisobutyryl-<small>DL</small>-pipecolyl-α-aminoisobutyric acid methyl ester
Bardi, R.; Piazzesi, A. M.; Crisma, M.; Toniolo, C.; Sukumar, M.; Balaram, P.; Acta Crystallographica Section C 48 (1992) 1645–1648; doi:10.1107/S0108270192001070

data_2000604
_publ_section_title
;Structure of
 <i>N</i>-<i>tert</i>-butyloxycarbonyl-\a-aminoisobutyryl-<small>DL</small>-pipecolyl-\a-aminoisobutyric
 acid methyl ester
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1645
_journal_page_last               1648
_journal_paper_doi               10.1107/S0108270192001070
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H35 N3 O6'
_chemical_formula_weight         413.5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.70(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.055(3)
_cell_length_b                   15.048(3)
_cell_length_c                   17.173(3)
_cell_volume                     4663.7(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.053
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_density_meas      1.16
_exptl_crystal_F_000             1792
_cod_data_source_file            ge0294.cif
_cod_data_source_block           ge0294a
_cod_original_cell_volume        4663.8(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2000604
Structure of tetrachlorophosphonium hexafluoroantimonate
Preut, H.; Lennhoff, D.; Minkwitz, R.; Acta Crystallographica Section C 48 (1992) 1648–1650; doi:10.1107/S0108270192001173

data_2000605
_publ_section_title
;
 Structure of tetrachlorophosphonium hexafluoroantimonate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1648
_journal_page_last               1650
_journal_paper_doi               10.1107/S0108270192001173
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cl4 F6 P Sb'
_chemical_formula_weight         408.526
_space_group_crystal_system      tetragonal
_space_group_IT_number           85
_space_group_name_Hall           '-P 4a'
_space_group_name_H-M_alt        'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.568(3)
_cell_length_b                   8.568(3)
_cell_length_c                   6.531(5)
_cell_volume                     479.4(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    4.22
_exptl_crystal_density_diffrn    2.830
_exptl_crystal_F_000             376
_cod_data_source_file            bx0585.cif
_cod_data_source_block           bx0585a
_cod_original_sg_symbol_H-M      P4/n
_cod_original_formula_sum        'Cl4 F6 P1 Sb1'
_cod_database_code               2000605
Structure of aluminium disodium trihydrogenbis(diphosphate)
Galí, S.; Cárdenas, A.; Byrappa, K.; Gopalakrishna, G. S.; Acta Crystallographica Section C 48 (1992) 1650–1652; doi:10.1107/S0108270192000611

data_2000606
_publ_section_title
;
 Structure of aluminium disodium trihydrogenbis(diphosphate)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1650
_journal_page_last               1652
_journal_paper_doi               10.1107/S0108270192000611
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Al H3 Na2 O14 P4'
_chemical_formula_weight         423.9
_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                99.67(2)
_cell_angle_beta                 81.77(2)
_cell_angle_gamma                114.480(10)
_cell_formula_units_Z            1
_cell_length_a                   8.311(4)
_cell_length_b                   7.363(4)
_cell_length_c                   4.902(3)
_cell_volume                     268.2(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.931
_exptl_crystal_density_diffrn    2.624
_exptl_crystal_F_000             210
_cod_data_source_file            mu0258.cif
_cod_data_source_block           mu0258a
_cod_original_cell_volume        268.2(4)
_cod_original_formula_sum        'Al1 H3 Na2 O14 P4'
_cod_database_code               2000606
Structural investigations of nickel(II) complexes. X. Tris(3,5-dimethylpiperidine)bis(isothiocyanato)nickel(II), [Ni(NCS)~2~(3,5-diMepip)~3~]
Koman, M.; Jóna, E.; Ďurčanská, E.; Acta Crystallographica Section C 48 (1992) 1652–1654; doi:10.1107/S0108270192000635

data_2000607
_publ_section_title
;
 Structural investigations of nickel(II) complexes. X.
 Tris(3,5-dimethylpiperidine)bis(isothiocyanato)nickel(II),
 [Ni(NCS)~2~(3,5-diMepip)~3~]
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1652
_journal_page_last               1654
_journal_paper_doi               10.1107/S0108270192000635
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C23 H45 N5 Ni1 S2'
_chemical_formula_sum            'C23 H45 N5 Ni S2'
_chemical_formula_weight         514.5
_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                81.80(10)
_cell_angle_beta                 76.60(10)
_cell_angle_gamma                69.80(10)
_cell_formula_units_Z            2
_cell_length_a                   10.410(10)
_cell_length_b                   10.63(2)
_cell_length_c                   13.63(2)
_cell_volume                     1374(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71070
_exptl_absorpt_coefficient_mu    0.87
_exptl_crystal_density_diffrn    1.19
_exptl_crystal_density_meas      1.24
_exptl_crystal_F_000             556
_cod_data_source_file            mu0254.cif
_cod_data_source_block           mu0254_structure_1_of_1
_cod_original_cell_volume        1373.7
_cod_original_formula_sum        'C23 H45 N5 Ni1 S2'
_cod_database_code               2000607
Structure of a dinuclear nickel compound, Ni~2~(PPh~3~)~2~(SC~3~H~6~S)~2~
Cao, R.; Huang, Z.; Lei, X.; Kang, B.; Hong, M.; Liu, H.; Acta Crystallographica Section C 48 (1992) 1654–1655; doi:10.1107/S0108270192000647

data_2000608
_publ_section_title
;
 Structure of a dinuclear nickel compound,
 Ni~2~(PPh~3~)~2~(SC~3~H~6~S)~2~
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1654
_journal_page_last               1655
_journal_paper_doi               10.1107/S0108270192000647
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C18 H15 P1),2(C3 H6 S2),Ni2'
_chemical_formula_sum            'C42 H42 Ni2 P2 S4'
_chemical_formula_weight         854.43
_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                 107.33(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.499(13)
_cell_length_b                   9.037(6)
_cell_length_c                   17.419(7)
_cell_volume                     3982(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.26
_exptl_crystal_density_diffrn    1.43
_exptl_crystal_F_000             1776
_cod_data_source_file            as0501.cif
_cod_data_source_block           as0501a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_cell_volume        3982.1
_cod_database_code               2000608
Structure of the condensation product formed by pyrrolidine, acetonitrile and copper(I) iodide
Bao, X.; Holt, E. M.; Acta Crystallographica Section C 48 (1992) 1655–1657; doi:10.1107/S0108270192000684

data_2000609
_publ_section_title
;
 Structure of the condensation product formed by pyrrolidine,
 acetonitrile and copper(I) iodide
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1655
_journal_page_last               1657
_journal_paper_doi               10.1107/S0108270192000684
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C12 H22 Cu1 I1 N4'
_chemical_formula_sum            'C12 H22 Cu I N4'
_chemical_formula_weight         410.81
_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                 115.09(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.1490(10)
_cell_length_b                   7.205(5)
_cell_length_c                   15.358(5)
_cell_volume                     1618.3(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.232
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_F_000             408
_cod_data_source_file            hh0580.cif
_cod_data_source_block           hh0580a
_cod_depositor_comments
;

  Fixing the H-M spacegroup symbol value -- with the new value, the
  packing is reasonable and the computed brutto formula coincides with
  the one provided by the authors.

  Saulius Gra\<zulis
  2014-06-18

;
_cod_original_cell_volume        1618.4(2)
_cod_original_sg_symbol_Hall     'A 2ya'
_cod_original_sg_symbol_H-M      'A 2/a'
_cod_original_formula_sum        'C12 H22 Cu1 I1 N4'
_cod_database_code               2000609
Structure of triphenyltin glyoxalate <i>O</i>-methyloxime
Lo, K. M.; Ng, S. W.; Wei, C.; Kumar Das, V. G.; Acta Crystallographica Section C 48 (1992) 1657–1658; doi:10.1107/S0108270192000945

data_2000610
_publ_section_title
;
 Structure of triphenyltin glyoxalate <i>O</i>-methyloxime
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1657
_journal_page_last               1658
_journal_paper_doi               10.1107/S0108270192000945
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C21 H19 N O3 Sn'
_chemical_formula_weight         452.08
_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                   9.7484(7)
_cell_length_b                   10.3086(6)
_cell_length_c                   19.2656(8)
_cell_volume                     1936.0(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.341
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_F_000             904
_cod_data_source_file            as0552.cif
_cod_data_source_block           as0552a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_formula_sum        'C21 H19 N1 O3 Sn1'
_cod_database_code               2000610
Structure of [IrCl~2~(CO)(PEt~3~)~2~(SOCl)]
Blake, A. J.; Cockman, R. W.; Ebsworth, E. A. V.; Acta Crystallographica Section C 48 (1992) 1658–1660; doi:10.1107/S0108270192001240

data_2000611
_publ_section_title
;
 Structure of [IrCl~2~(CO)(PEt~3~)~2~(SOCl)]
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1658
_journal_page_last               1660
_journal_paper_doi               10.1107/S0108270192001240
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C13 H30 Cl3 Ir O2 P2 S'
_chemical_formula_weight         610.96
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.454(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.5752(17)
_cell_length_b                   9.7304(8)
_cell_length_c                   15.163(5)
_cell_volume                     2132.3(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    7.09
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_F_000             1192
_cod_data_source_file            ha0103.cif
_cod_data_source_block           ha0103a
_cod_original_cell_volume        2132
_cod_original_sg_symbol_H-M      'P 2 1/c'
_cod_original_formula_sum        'C13 H30 Cl3 Ir1 O2 P2 S1'
_cod_database_code               2000611
Structure of pentakis(<i>N</i>,<i>N</i>-dimethylformamide)dioxouranium(VI) tetrafluoroborate
Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, D.; Acta Crystallographica Section C 48 (1992) 1660–1661; doi:10.1107/S0108270192001689

data_2000612
_publ_section_title
;
 Structure of
 pentakis(<i>N</i>,<i>N</i>-dimethylformamide)dioxouranium(VI)
 tetrafluoroborate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1660
_journal_page_last               1661
_journal_paper_doi               10.1107/S0108270192001689
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C15 H35 N5 O7 U1,2(B1 F4)'
_chemical_formula_sum            'C15 H35 B2 F8 N5 O7 U'
_chemical_formula_weight         809.11
_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                 112.24(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.077(5)
_cell_length_b                   13.296(3)
_cell_length_c                   11.525(2)
_cell_volume                     2989.5(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.234
_exptl_crystal_density_diffrn    1.798
_exptl_crystal_F_000             1560
_cod_data_source_file            du0327.cif
_cod_data_source_block           du0327a
_cod_original_cell_volume        2989.0(10)
_cod_original_formula_sum        'C15 H35 B2 F8 N5 O7 U1'
_cod_database_code               2000612
Structure of [1,3-bis(diphenylphosphino)propane](η^5^-cyclopentadienyl)hydridoruthenium(II)
Litster, S. A.; Redhouse, A. D.; Simpson, S. J.; Acta Crystallographica Section C 48 (1992) 1661–1663; doi:10.1107/S010827019200132X

data_2000613
_publ_section_title
;Structure of
 [1,3-bis(diphenylphosphino)propane](\h^5^-cyclopentadienyl)hydridoruthenium(II)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1661
_journal_page_last               1663
_journal_paper_doi               10.1107/S010827019200132X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C32 H32 P2 Ru'
_chemical_formula_weight         579.6
_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                 102.980(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.188(2)
_cell_length_b                   19.307(3)
_cell_length_c                   15.545(3)
_cell_volume                     2687.1(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.707
_exptl_crystal_density_diffrn    1.43
_exptl_crystal_F_000             1192
_cod_data_source_file            li0120.cif
_cod_data_source_block           li0120a
_cod_original_cell_volume        2687.0(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C32 H32 P2 Ru1'
_cod_database_code               2000613
Rhodium(I)-cyclooctadiene (cod) complexes with the <i>N</i>-donor ligands 1,8-diazabicyclo[5.4.0]undec-7-ene (dbu) and 1,5-diazabicyclo[4.3.0]non-5-ene (dbn)
Flörke, U.; Ortmann, U.; Haupt, H.-J.; Acta Crystallographica Section C 48 (1992) 1663–1665; doi:10.1107/S0108270191015111

data_2000614
_publ_section_title
;
 Rhodium(I)-cyclooctadiene (cod) complexes with the <i>N</i>-donor
 ligands 1,8-diazabicyclo[5.4.0]undec-7-ene (dbu) and
 1,5-diazabicyclo[4.3.0]non-5-ene (dbn)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1663
_journal_page_last               1665
_journal_paper_doi               10.1107/S0108270191015111
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H28 Cl N2 Rh'
_chemical_formula_weight         398.8
_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                 106.420(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.3980(10)
_cell_length_b                   11.439(2)
_cell_length_c                   10.727(2)
_cell_volume                     870.8(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.12
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_F_000             412
_cod_data_source_file            se0084.cif
_cod_data_source_block           se0084a
_cod_original_cell_volume        870.7
_cod_original_formula_sum        'C17 H28 Cl1 N2 Rh1'
_cod_database_code               2000614
Rhodium(I)-cyclooctadiene (cod) complexes with the <i>N</i>-donor ligands 1,8-diazabicyclo[5.4.0]undec-7-ene (dbu) and 1,5-diazabicyclo[4.3.0]non-5-ene (dbn)
Flörke, U.; Ortmann, U.; Haupt, H.-J.; Acta Crystallographica Section C 48 (1992) 1663–1665; doi:10.1107/S0108270191015111

data_2000615
_publ_section_title
;
 Rhodium(I)-cyclooctadiene (cod) complexes with the <i>N</i>-donor
 ligands 1,8-diazabicyclo[5.4.0]undec-7-ene (dbu) and
 1,5-diazabicyclo[4.3.0]non-5-ene (dbn)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1663
_journal_page_last               1665
_journal_paper_doi               10.1107/S0108270191015111
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C15 H24 Cl1 N2 Rh1,0.5(C4 H8 O2)'
_chemical_formula_sum            'C17 H28 Cl N2 O Rh'
_chemical_formula_weight         414.8
_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                 100.400(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.2310(10)
_cell_length_b                   15.870(3)
_cell_length_c                   15.918(3)
_cell_volume                     1796.7(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.09
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_F_000             856
_cod_data_source_file            se0084.cif
_cod_data_source_block           se0084b
_cod_original_cell_volume        1796.7
_cod_original_formula_sum        'C17 H28 Cl1 N2 O1 Rh1'
_cod_database_code               2000615
Structure of chlorodioxotetrakis(tetrahydrofuran)uranium(VI) pentachloro(tetrahydrofuran)uranate(IV)
Noltemeyer, M.; Gilje, J. W.; Roesky, H. W.; Acta Crystallographica Section C 48 (1992) 1665–1666; doi:10.1107/S0108270192001896

data_2000616
_publ_section_title
;
 Structure of chlorodioxotetrakis(tetrahydrofuran)uranium(VI)
 pentachloro(tetrahydrofuran)uranate(IV)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1665
_journal_page_last               1666
_journal_paper_doi               10.1107/S0108270192001896
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C16 H32 Cl1 O6 U1,C4 H8 Cl5 O1 U1'
_chemical_formula_sum            'C20 H40 Cl6 O7 U2'
_chemical_formula_weight         1081.3
_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                80.04(3)
_cell_angle_beta                 79.15(3)
_cell_angle_gamma                73.46(3)
_cell_formula_units_Z            2
_cell_length_a                   9.272(2)
_cell_length_b                   13.031(3)
_cell_length_c                   15.240(3)
_cell_volume                     1719.6(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    9.422
_exptl_crystal_density_diffrn    2.088
_exptl_crystal_F_000             1004
_cod_data_source_file            hh0562.cif
_cod_data_source_block           hh0562a
_cod_original_cell_volume        1719.5(6)
_cod_database_code               2000616