LMucko/crystallography-open-database huggingface dataset:
3,3'-Dimethyl-4,4'-bipyridine and 5,5'-dimethyl-4,4'-bipyrimidine
Gourdon, A.; Acta Crystallographica Section C 49 (1993) 1011–1013; doi:10.1107/S0108270192012460

data_2001736
_publ_section_title
;
 3,3'-Dimethyl-4,4'-bipyridine and 5,5'-dimethyl-4,4'-bipyrimidine
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1011
_journal_page_last               1013
_journal_paper_doi               10.1107/S0108270192012460
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C10 H10 N4'
_chemical_formula_weight         186.216
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.000(4)
_cell_length_b                   16.853(9)
_cell_length_c                   3.8986(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    300
_cell_measurement_theta_max      17
_cell_measurement_theta_min      11
_cell_volume                     459.9(4)
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_number            922
_diffrn_reflns_theta_max         24
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         13
_exptl_absorpt_coefficient_mu    0.0811
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_description       'Rectangular plates'
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.6
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.12
_refine_diff_density_min         -0.08
_refine_ls_number_parameters     74
_refine_ls_number_reflns         402
_refine_ls_R_factor_obs          0.026
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F=196
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.026
_reflns_number_observed          465
_reflns_number_total             465
_reflns_observed_criterion       F>2\s(F)
_cod_data_source_file            du1007.cif
_cod_data_source_block           du1007_structure_2_of_2
_cod_original_cell_volume        460.0(4)
_cod_database_code               2001736
Structure of a polymeric cadmium complex containing triply bridging monophenylphosphinate ligands
Du, J.-L.; Rettig, S. J.; Thompson, R. C.; Trotter, J.; Acta Crystallographica Section C 49 (1993) 1035–1036; doi:10.1107/S0108270193001234

data_2001749
_publ_section_title
;
 Structure of a polymeric cadmium complex containing triply bridging
 monophenylphosphinate ligands
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1035
_journal_page_last               1036
_journal_paper_doi               10.1107/S0108270193001234
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C6 H8 Cd Cl O3 P'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.250(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.885(2)
_cell_length_b                   5.8864(6)
_cell_length_c                   21.624(2)
_cell_volume                     1764.5(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_F_000             1184
_cod_data_source_file            hh1056.cif
_cod_data_source_block           hh1056_structure_1_of_1
_cod_original_cell_volume        1764.5(7)
_cod_original_formula_sum        'C6 H8 Cd1 Cl1 O3 P1'
_cod_database_code               2001749
Structure of lithium <i>catena</i>-poly[3,4-dihydroxopentaborate-1:5-μ-oxo]
Cárdenas, A.; Solans, J.; Byrappa, K.; Shekar, K. V. K.; Acta Crystallographica Section C 49 (1993) 645–647; doi:10.1107/S0108270192008217

data_2001750
_publ_section_title
;
 Structure of lithium
 <i>catena</i>-poly[3,4-dihydroxopentaborate-1:5-\m-oxo]
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              645
_journal_page_last               647
_journal_paper_doi               10.1107/S0108270192008217
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'Li1,H2 B5 O9'
_chemical_formula_sum            'B5 H2 Li O9'
_chemical_formula_weight         207.0
_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                90.00(2)
_cell_angle_beta                 91.470(10)
_cell_angle_gamma                90.000(10)
_cell_formula_units_Z            4
_cell_length_a                   13.576(4)
_cell_length_b                   9.077(4)
_cell_length_c                   5.543(3)
_cell_volume                     682.8(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.206
_exptl_crystal_density_diffrn    2.013
_exptl_crystal_F_000             408
_cod_data_source_file            mu0290.cif
_cod_data_source_block           mu0290_structure_1_of_1
_cod_original_cell_volume        682.8(4)
_cod_original_formula_sum        'H2 B5 Li1 O9'
_cod_database_code               2001750
Alkaline-earth beryllium borate CaBeB~2~O~5~
Schaffers, K. I.; Keszler, D. A.; Acta Crystallographica Section C 49 (1993) 647–650; doi:10.1107/S0108270192006371

data_2001751
_publ_section_title
;
 Alkaline-earth beryllium borate CaBeB~2~O~5~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              647
_journal_page_last               650
_journal_paper_doi               10.1107/S0108270192006371
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'B2 Be Ca O5'
_chemical_formula_weight         150.71
_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                 98.12(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.167(2)
_cell_length_b                   3.756(2)
_cell_length_c                   17.160(2)
_cell_volume                     329.7(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.738
_exptl_crystal_density_diffrn    3.036
_exptl_crystal_F_000             296
_cod_data_source_file            st0579.cif
_cod_data_source_block           st0579_structure_1_of_1
_cod_original_formula_sum        'Ca Be B2 O5'
_cod_database_code               2001751
Redetermination of tristrontium uranate(VI). A Rietveld refinement of neutron powder diffraction data
IJdo, D. J. W.; Acta Crystallographica Section C 49 (1993) 650–652; doi:10.1107/S0108270192010849

data_2001752
_publ_section_title
;
 Redetermination of tristrontium uranate(VI). A Rietveld refinement of
 neutron powder diffraction data
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              650
_journal_page_last               652
_journal_paper_doi               10.1107/S0108270192010849
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'O6 Sr3 U'
_chemical_formula_weight         596.89
_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                 90.239(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.0126(2)
_cell_length_b                   6.2138(2)
_cell_length_c                   8.6139(3)
_cell_volume                     321.822(19)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     2.57155(3)
_exptl_crystal_density_diffrn    6.1600(10)
_cod_data_source_file            mu0289.cif
_cod_data_source_block           mu0289_structure_1_of_1
_cod_original_cell_volume        321.82(3)
_cod_original_formula_sum        'O6 Sr3 U1'
_cod_database_code               2001752
Ba~2~Ce~3/4~SbO~6~, a Rietveld refinement of neutron powder diffraction data
IJdo, D. J. W.; Helmholdt, R. B.; Acta Crystallographica Section C 49 (1993) 652–654; doi:10.1107/S0108270192010850

data_2001753
_publ_section_title
;
 Ba~2~Ce~3/4~SbO~6~, a Rietveld refinement of neutron powder
 diffraction data
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              652
_journal_page_last               654
_journal_paper_doi               10.1107/S0108270192010850
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Ba2 Ce O6 Sb'
_chemical_formula_weight         597.52
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.45620(10)
_cell_length_b                   8.45620(10)
_cell_length_c                   17.0002(4)
_cell_volume                     1215.64(4)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.57170(10)
_exptl_crystal_density_diffrn    6.5297
_cod_data_source_file            mu0294.cif
_cod_data_source_block           mu0294_structure_1_of_1
_cod_original_cell_volume        1215.64(2)
_cod_original_sg_symbol_H-M      'I 4/mmm'
_cod_original_formula_sum        'Ba2 Ce1 Sb1 O6'
_cod_database_code               2001753
Pb~3~U~11~O~36~, a Rietveld refinement of neutron powder diffraction data
IJdo, D. J. W.; Acta Crystallographica Section C 49 (1993) 654–656; doi:10.1107/S0108270192010874

data_2001754
_publ_section_title
;
 Pb~3~U~11~O~36~, a Rietveld refinement of neutron powder diffraction
 data
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              654
_journal_page_last               656
_journal_paper_doi               10.1107/S0108270192010874
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'O36 Pb3 U11'
_chemical_formula_sum            'O36 Pb3 U11'
_chemical_formula_weight         3815.88
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab -1ab'
_symmetry_space_group_name_H-M   'P m m n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   28.4590(10)
_cell_length_b                   8.3790(3)
_cell_length_c                   6.7650(3)
_cell_volume                     1613.17(11)
_diffrn_radiation_wavelength     2.57000(10)
_exptl_crystal_density_diffrn    7.854
_cod_data_source_file            mu1002.cif
_cod_data_source_block           mu1002_structure_1_of_1
_cod_depositor_comments
;

Had to add explicit symmetry operators from the CCP4 library to force
origin choice 1.

Saulius Gra\<zulis
;
_cod_original_cell_volume        1613.20(10)
_cod_original_sg_symbol_H-M      'P m m n {origin @ m m 2/n}'
_cod_database_code               2001754
Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of iron iodine boracite, Fe~3~B~7~O~13~I
Kubel, F.; Janner, A.-M.; Acta Crystallographica Section C 49 (1993) 657–659; doi:10.1107/S0108270192010643

data_2001755
_publ_section_title
;
 Structure of the fully ferroelectric/fully ferroelastic orthorhombic
 room-temperature phase of iron iodine boracite, Fe~3~B~7~O~13~I
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              657
_journal_page_last               659
_journal_paper_doi               10.1107/S0108270192010643
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'B7 Fe3 I O13'
_chemical_formula_weight         578.13
_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                   8.6540(3)
_cell_length_b                   8.6481(3)
_cell_length_c                   12.2336(5)
_cell_volume                     915.57(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    8.31
_exptl_crystal_density_diffrn    4.19
_exptl_crystal_F_000             1080
_cod_data_source_file            sh0017.cif
_cod_data_source_block           sh0017_structure_1_of_1
_cod_database_code               2001755
Structure of Ce~16~Mo~21~O~56~ containing single Mo atoms and isolated Mo~10~ clusters
Gall, P.; Gougeon, P.; Acta Crystallographica Section C 49 (1993) 659–663; doi:10.1107/S0108270192011533

data_2001756
_publ_section_title
;
 Structure of Ce~16~Mo~21~O~56~ containing single Mo atoms and isolated
 Mo~10~ clusters
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              659
_journal_page_last               663
_journal_paper_doi               10.1107/S0108270192011533
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Ce16 Mo21 O56'
_chemical_formula_weight         5152.63
_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                 99.920(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.450(3)
_cell_length_b                   13.398(5)
_cell_length_c                   13.357(4)
_cell_volume                     2371.0(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    20.597
_exptl_crystal_density_diffrn    7.217
_exptl_crystal_F_000             4516
_cod_data_source_file            du1018.cif
_cod_data_source_block           du1018_structure_1_of_1
_cod_original_cell_volume        2371.0(12)
_cod_database_code               2001756
Structure of [Ru~2~Cl~4~(Me~2~SO)~5~]
Calligaris, M.; Faleschini, P.; Alessio, E.; Acta Crystallographica Section C 49 (1993) 663–666; doi:10.1107/S0108270192011557

data_2001757
_publ_section_title
;
 Structure of [Ru~2~Cl~4~(Me~2~SO)~5~]
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              663
_journal_page_last               666
_journal_paper_doi               10.1107/S0108270192011557
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C10 H30 Cl4 O5 Ru2 S5'
_chemical_formula_weight         734.62
_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                 109.940(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.0850(10)
_cell_length_b                   15.6470(10)
_cell_length_c                   15.167(2)
_cell_volume                     2473.0(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.06
_exptl_crystal_density_diffrn    1.973
_exptl_crystal_F_000             1464
_cod_data_source_file            na1015.cif
_cod_data_source_block           na1015_structure_1_of_1
_cod_original_cell_volume        2472.9(5)
_cod_database_code               2001757
Structure of a nickel(II) complex of the deprotonated anion of 3,6,6,9-tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioxime
Lu, T.-H.; Tseng, F.; Luh, H.; Chung, C.-S.; Acta Crystallographica Section C 49 (1993) 666–668; doi:10.1107/S0108270192009880

data_2001758
_publ_section_title
;
 Structure of a nickel(II) complex of the deprotonated anion of
 3,6,6,9-tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioxime
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              666
_journal_page_last               668
_journal_paper_doi               10.1107/S0108270192009880
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C13 H23 N4 Ni1 O2, Cl1 O4'
_chemical_formula_sum            'C13 H23 Cl N4 Ni O6'
_chemical_formula_weight         425.5
_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                90.0
_cell_angle_beta                 103.470(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   7.161(3)
_cell_length_b                   18.945(3)
_cell_length_c                   13.949(4)
_cell_volume                     1840.3(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7093
_exptl_absorpt_coefficient_mu    1.24
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_F_000             887.81
_cod_data_source_file            as1016.cif
_cod_data_source_block           as1016_structure_1_of_1
_cod_original_cell_volume        1840.2(9)
_cod_original_formula_sum        'C13 H23 Cl1 N4 Ni1 O6'
_cod_database_code               2001758
Structure of dipiperidinium <i>catena</i>-poly[nickel-tri-μ-chloro(1–)] chloride
Bond, M. R.; Willett, R. D.; Acta Crystallographica Section C 49 (1993) 668–671; doi:10.1107/S0108270192008837

data_2001759
_publ_section_title
;
 Structure of dipiperidinium
 <i>catena</i>-poly[nickel-tri-\m-chloro(1--)] chloride
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              668
_journal_page_last               671
_journal_paper_doi               10.1107/S0108270192008837
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C10 H24 Cl4 N2 Ni'
_chemical_formula_weight         372.8
_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                 98.010(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1310(10)
_cell_length_b                   6.1431(8)
_cell_length_c                   26.081(5)
_cell_volume                     1607.3(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    7.88
_exptl_crystal_density_diffrn    1.54
_exptl_crystal_F_000             776
_cod_data_source_file            st0567.cif
_cod_data_source_block           st0567_structure_1_of_1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C10 H24 Cl4 N2 Ni1'
_cod_database_code               2001759
Structure of <i>trans</i>-[Re(CO)~4~(PPh~3~)I]
Ingham, W. L.; Billing, D. G.; Levendis, D. C.; Coville, N. J.; Acta Crystallographica Section C 49 (1993) 671–674; doi:10.1107/S010827019200934X

data_2001760
_publ_section_title
;
 Structure of <i>trans</i>-[Re(CO)~4~(PPh~3~)I]
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              671
_journal_page_last               674
_journal_paper_doi               10.1107/S010827019200934X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H15 I O4 P Re'
_chemical_formula_weight         687.4
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.13(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.344(3)
_cell_length_b                   19.17(5)
_cell_length_c                   12.604(4)
_cell_volume                     2258(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    8.82
_exptl_crystal_density_diffrn    2.0224
_exptl_crystal_F_000             1288
_cod_data_source_file            hu0414.cif
_cod_data_source_block           hu0414_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        2258.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C22 H15 I1 O4 P1 Re1'
_cod_database_code               2001760