LMucko/crystallography-open-database huggingface dataset:
X-ray study of the electron density in magnesite MgCO~3~
Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Acta Crystallographica Section B 49 (1993) 980–984; doi:10.1107/S0108768193006615

data_2101057
_publ_section_title
;
 X-ray study of the electron density in magnesite MgCO~3~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              980
_journal_page_last               984
_journal_paper_doi               10.1107/S0108768193006615
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C Mg O3'
_chemical_formula_weight         84.31
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            6
_cell_length_a                   4.6350(10)
_cell_length_b                   4.6350(10)
_cell_length_c                   15.023(2)
_cell_volume                     279.50(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.59
_exptl_crystal_density_diffrn    3.005
_exptl_crystal_F_000             252
_cod_data_source_file            as0629.cif
_cod_data_source_block           as0629a
_cod_original_cell_volume        279.50(10)
_cod_original_sg_symbol_H-M      'R -3 c {hexagonal axes}'
_cod_original_formula_sum        'C1 Mg1 O3'
_cod_database_code               2101057
Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives
Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I.; Acta Crystallographica Section B 49 (1993) 1031–1039; doi:10.1107/S0108768193005130

data_2101058
_publ_section_title
;
 Electron-density distribution in crystals of <i>p</i>-nitrobenzene
 derivatives
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1031
_journal_page_last               1039
_journal_paper_doi               10.1107/S0108768193005130
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C6 H4 N2 O4'
_chemical_formula_sum            'C6 H4 N2 O4'
_chemical_formula_weight         168.1
_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                 92.116(8)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   10.941(2)
_cell_length_b                   5.3813(5)
_cell_length_c                   5.6684(4)
_cell_volume                     333.51(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    0.14
_exptl_crystal_density_diffrn    1.67
_cod_data_source_file            as0633.cif
_cod_data_source_block           as0633a
_cod_database_code               2101058
Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives
Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I.; Acta Crystallographica Section B 49 (1993) 1031–1039; doi:10.1107/S0108768193005130

data_2101059
_publ_section_title
;
 Electron-density distribution in crystals of <i>p</i>-nitrobenzene
 derivatives
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1031
_journal_page_last               1039
_journal_paper_doi               10.1107/S0108768193005130
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C7 H5 N1 O4'
_chemical_formula_sum            'C7 H5 N O4'
_chemical_formula_weight         167.1
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90.
_cell_angle_beta                 97.072(8)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   12.8570(10)
_cell_length_b                   5.0272(2)
_cell_length_c                   20.997(2)
_cell_volume                     1346.81(18)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    0.13
_exptl_crystal_density_diffrn    1.65
_cod_data_source_file            as0633.cif
_cod_data_source_block           as0633b
_cod_original_cell_volume        1346.8(2)
_cod_original_formula_sum        'C7 H5 N1 O4'
_cod_database_code               2101059
Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives
Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I.; Acta Crystallographica Section B 49 (1993) 1031–1039; doi:10.1107/S0108768193005130

data_2101060
_publ_section_title
;
 Electron-density distribution in crystals of <i>p</i>-nitrobenzene
 derivatives
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1031
_journal_page_last               1039
_journal_paper_doi               10.1107/S0108768193005130
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C7 H6 N2 O3'
_chemical_formula_sum            'C7 H6 N2 O3'
_chemical_formula_weight         166.1
_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                 90.880(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.393(2)
_cell_length_b                   6.8005(9)
_cell_length_c                   13.814(2)
_cell_volume                     694.4(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    0.12
_exptl_crystal_density_diffrn    1.59
_cod_data_source_file            as0633.cif
_cod_data_source_block           as0633c
_cod_database_code               2101060
Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives
Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I.; Acta Crystallographica Section B 49 (1993) 1031–1039; doi:10.1107/S0108768193005130

data_2101061
_publ_section_title
;
 Electron-density distribution in crystals of <i>p</i>-nitrobenzene
 derivatives
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1031
_journal_page_last               1039
_journal_paper_doi               10.1107/S0108768193005130
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C7 H5 N2 O3'
_chemical_formula_sum            'C7 H5 N2 O3'
_chemical_formula_weight         166.1
_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                 94.87(8)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.2336(6)
_cell_length_b                   4.8377(5)
_cell_length_c                   24.352(2)
_cell_volume                     731.71(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    0.11
_exptl_crystal_density_diffrn    1.51
_cod_data_source_file            as0633.cif
_cod_data_source_block           as0633d
_cod_original_cell_volume        731.70(10)
_cod_database_code               2101061
Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives
Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I.; Acta Crystallographica Section B 49 (1993) 1031–1039; doi:10.1107/S0108768193005130

data_2101062
_publ_section_title
;
 Electron-density distribution in crystals of <i>p</i>-nitrobenzene
 derivatives
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1031
_journal_page_last               1039
_journal_paper_doi               10.1107/S0108768193005130
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C6 H6 N2 O2'
_chemical_formula_sum            'C6 H6 N2 O2'
_chemical_formula_weight         138.1
_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                 92.720(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.122(2)
_cell_length_b                   6.0276(9)
_cell_length_c                   8.4870(10)
_cell_volume                     619.42(16)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    0.10
_exptl_crystal_density_diffrn    1.48
_cod_data_source_file            as0633.cif
_cod_data_source_block           as0633e
_cod_original_cell_volume        619.4(2)
_cod_database_code               2101062
Three polymorphs of (<i>rac</i>-1-cyanoethyl)(pyrrolidine)cobaloxime
Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y.; Acta Crystallographica Section B 49 (1993) 1015–1020; doi:10.1107/S0108768193007347

data_2101063
_publ_section_title
;
 Three polymorphs of (<i>rac</i>-1-cyanoethyl)(pyrrolidine)cobaloxime
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1015
_journal_page_last               1020
_journal_paper_doi               10.1107/S0108768193007347
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C15 H27 Co1 N6 O4'
_chemical_formula_sum            'C15 H27 Co N6 O4'
_chemical_formula_weight         414.4
_space_group_IT_number           1
_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                98.71(2)
_cell_angle_beta                 90.17(4)
_cell_angle_gamma                98.52(3)
_cell_formula_units_Z            4
_cell_length_a                   11.723(2)
_cell_length_b                   15.658(3)
_cell_length_c                   11.118(2)
_cell_volume                     1994.3(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.887
_exptl_crystal_density_diffrn    1.38
_exptl_crystal_density_meas      1.39
_exptl_crystal_F_000             872
_cod_data_source_file            as0637.cif
_cod_data_source_block           as0637a
_cod_original_cell_volume        1994.2(8)
_cod_original_formula_sum        'C15 H27 Co1 N6 O4'
_cod_database_code               2101063
Three polymorphs of (<i>rac</i>-1-cyanoethyl)(pyrrolidine)cobaloxime
Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y.; Acta Crystallographica Section B 49 (1993) 1015–1020; doi:10.1107/S0108768193007347

data_2101064
_publ_section_title
;
 Three polymorphs of (<i>rac</i>-1-cyanoethyl)(pyrrolidine)cobaloxime
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1015
_journal_page_last               1020
_journal_paper_doi               10.1107/S0108768193007347
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C14 H27 Co1 N6 O4,C9 H9'
_chemical_formula_sum            'C24 H36 Co N6 O4'
_chemical_formula_weight         531.6
_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                 105.03(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   16.621(2)
_cell_length_b                   18.803(2)
_cell_length_c                   9.1550(10)
_cell_volume                     2763.3(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.655
_exptl_crystal_density_diffrn    1.28
_exptl_crystal_F_000             1124
_cod_data_source_file            as0637.cif
_cod_data_source_block           as0637b
_cod_original_cell_volume        2763.4(7)
_cod_original_formula_sum        'C24 H36 Co1 N6 O4'
_cod_database_code               2101064
Crystalline-state reaction of cobaloxime complexes. 17. Requirements for racemization of the bulky dimethoxycarbonylethyl group
Sakai, Y.; Ohashi, Y.; Yamanaka, M.; Kobayashi, Y.; Arai, Y.; Ohgo, Y.; Acta Crystallographica Section B 49 (1993) 1010–1014; doi:10.1107/S0108768193007104

data_2101065
_publ_section_title
;
 Crystalline-state reaction of cobaloxime complexes. 17. Requirements
 for racemization of the bulky dimethoxycarbonylethyl group
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1010
_journal_page_last               1014
_journal_paper_doi               10.1107/S0108768193007104
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H34 Co N5 O8'
_chemical_formula_weight         555.5
_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                90.0
_cell_angle_beta                 102.570(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   9.1250(10)
_cell_length_b                   15.820(2)
_cell_length_c                   9.3480(10)
_cell_volume                     1317.1(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.732
_exptl_crystal_density_diffrn    1.40
_exptl_crystal_F_000             584
_cod_data_source_file            as0638.cif
_cod_data_source_block           as0638a
_cod_original_cell_volume        1317.00(10)
_cod_database_code               2101065
Crystalline-state reaction of cobaloxime complexes. 17. Requirements for racemization of the bulky dimethoxycarbonylethyl group
Sakai, Y.; Ohashi, Y.; Yamanaka, M.; Kobayashi, Y.; Arai, Y.; Ohgo, Y.; Acta Crystallographica Section B 49 (1993) 1010–1014; doi:10.1107/S0108768193007104

data_2101066
_publ_section_title
;
 Crystalline-state reaction of cobaloxime complexes. 17. Requirements
 for racemization of the bulky dimethoxycarbonylethyl group
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1010
_journal_page_last               1014
_journal_paper_doi               10.1107/S0108768193007104
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C18 H36 Co N5 O9'
_chemical_formula_weight         525.4
_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                90.0
_cell_angle_beta                 117.24(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   9.803(3)
_cell_length_b                   15.554(3)
_cell_length_c                   9.267(3)
_cell_volume                     1256.3(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.766
_exptl_crystal_density_diffrn    1.39
_exptl_crystal_F_000             556
_cod_data_source_file            as0638.cif
_cod_data_source_block           as0638b
_cod_original_cell_volume        1255.4(7)
_cod_database_code               2101066
Determination of crystal structures from limited powder data sets: crystal structure of zirconium phenylphosphonate
Poojary, M. D.; Hu, H.-L.; Campbell, III, F. L.; Clearfield, A.; Acta Crystallographica Section B 49 (1993) 996–1001; doi:10.1107/S0108768193006937

data_2101067
_publ_section_title
;
 Determination of crystal structures from limited powder data sets:
 crystal structure of zirconium phenylphosphonate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              996
_journal_page_last               1001
_journal_paper_doi               10.1107/S0108768193006937
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C12 H10 O6 P2 Zr'
_chemical_formula_weight         403
_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                 101.2330(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0985(5)
_cell_length_b                   5.4154(3)
_cell_length_c                   30.235(2)
_cell_volume                     1461.20(15)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     1.3087
_exptl_crystal_density_diffrn    1.83
_cod_data_source_file            cr0443.cif
_cod_data_source_block           cr0443a
_cod_original_cell_volume        1461
_cod_original_formula_sum        'C12 H10 O6 P2 Zr1'
_cod_database_code               2101067
Cyclooctatetraene formation in the photolyses of dibenzobarrelene diesters
Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.; Acta Crystallographica Section B 49 (1993) 1049–1052; doi:10.1107/S0108768193006196

data_2101068
_publ_section_title
;
 Cyclooctatetraene formation in the photolyses of dibenzobarrelene
 diesters
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1049
_journal_page_last               1052
_journal_paper_doi               10.1107/S0108768193006196
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C21 H18 O4'
_chemical_formula_weight         334.37
_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                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   18.364(4)
_cell_length_b                   10.485(3)
_cell_length_c                   9.031(4)
_cell_volume                     1738.9(10)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.68
_exptl_crystal_density_diffrn    1.28
_exptl_crystal_F_000             704
_cod_data_source_file            hh0633.cif
_cod_data_source_block           hh0633a
_cod_original_cell_volume        1739(2)
_cod_database_code               2101068
Cyclooctatetraene formation in the photolyses of dibenzobarrelene diesters
Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.; Acta Crystallographica Section B 49 (1993) 1049–1052; doi:10.1107/S0108768193006196

data_2101069
_publ_section_title
;
 Cyclooctatetraene formation in the photolyses of dibenzobarrelene
 diesters
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1049
_journal_page_last               1052
_journal_paper_doi               10.1107/S0108768193006196
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H20 O4'
_chemical_formula_weight         348.40
_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                90.0
_cell_angle_beta                 100.910(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.1210(10)
_cell_length_b                   20.4860(10)
_cell_length_c                   10.0280(10)
_cell_volume                     1839.9(3)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.66
_exptl_crystal_density_diffrn    1.26
_exptl_crystal_F_000             736
_cod_data_source_file            hh0633.cif
_cod_data_source_block           hh0633b
_cod_database_code               2101069
Structure and electrical resistivity of the heavy fermion compound CeCu~5~Au
Ruck, M.; Portisch, G.; Schlager, H. G.; Sieck, M.; Löhneysen, H. v.; Acta Crystallographica Section B 49 (1993) 936–941; doi:10.1107/S0108768193005233

data_2101070
_publ_section_title
;
 Structure and electrical resistivity of the heavy fermion compound
 CeCu~5~Au
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              936
_journal_page_last               941
_journal_paper_doi               10.1107/S0108768193005233
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Au Ce Cu5'
_chemical_formula_weight         654.82
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.2455(4)
_cell_length_b                   5.0866(3)
_cell_length_c                   10.3659(5)
_cell_volume                     434.76(4)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    65.3
_exptl_crystal_density_diffrn    10.00
_cod_data_source_file            se0121.cif
_cod_data_source_block           se0121a
_cod_original_cell_volume        434.76(7)
_cod_database_code               2101070