LMucko/crystallography-open-database huggingface dataset:
Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms
Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E.; Acta Crystallographica Section B 49 (1993) 468–474; doi:10.1107/S010876819201173X

data_2100946
_publ_section_title
;
 Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either
 ordered or partly disordered arrangement of Al-atom triangles and
 rare-earth-metal atoms
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              468
_journal_page_last               474
_journal_paper_doi               10.1107/S010876819201173X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Al9 Er Ni3'
_chemical_formula_weight         586.22
_space_group_crystal_system      trigonal
_space_group_IT_number           155
_space_group_name_Hall           'R 3 2"'
_space_group_name_H-M_alt        'R 3 2 :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   7.2716(5)
_cell_length_b                   7.2716(5)
_cell_length_c                   27.346(3)
_cell_volume                     1252.2(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    17.824
_exptl_crystal_density_diffrn    4.664
_exptl_crystal_F_000             1614
_cod_data_source_file            du0339.cif
_cod_original_sg_symbol_H-M      'R 32'
_cod_original_formula_sum        'Al9 Er1 Ni3'
_cod_database_code               2100946
Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms
Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E.; Acta Crystallographica Section B 49 (1993) 468–474; doi:10.1107/S010876819201173X

data_2100947
_publ_section_title
;
 Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either
 ordered or partly disordered arrangement of Al-atom triangles and
 rare-earth-metal atoms
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              468
_journal_page_last               474
_journal_paper_doi               10.1107/S010876819201173X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Al9 Gd Ni3'
_chemical_formula_weight         576.2
_space_group_crystal_system      trigonal
_space_group_IT_number           155
_space_group_name_Hall           'R 3 2"'
_space_group_name_H-M_alt        'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.3006(9)
_cell_length_b                   7.3006(9)
_cell_length_c                   27.478(5)
_cell_volume                     1464.5(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    4.525
_exptl_crystal_F_000             1590
_cod_data_source_file            du0339.cif
_cod_data_source_block           du0339b
_cod_depositor_comments
;
 Correcting the _cell_angle_gamma data item value by changing it from '90' to
 '120' and updating the space group information after consulting the original
 publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_cell_volume        1268.3
_cod_original_sg_symbol_H-M      'R 32'
_cod_original_formula_sum        'Al9 Gd1 Ni3'
_cod_database_code               2100947
Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms
Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E.; Acta Crystallographica Section B 49 (1993) 468–474; doi:10.1107/S010876819201173X

data_2100948
_publ_section_title
;
 Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either
 ordered or partly disordered arrangement of Al-atom triangles and
 rare-earth-metal atoms
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              468
_journal_page_last               474
_journal_paper_doi               10.1107/S010876819201173X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Al9 Ni3 Y'
_chemical_formula_weight         507.87
_space_group_crystal_system      trigonal
_space_group_IT_number           155
_space_group_name_Hall           'R 3 2"'
_space_group_name_H-M_alt        'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.2894(7)
_cell_length_b                   7.2894(7)
_cell_length_c                   27.430(5)
_cell_volume                     1457.5(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    4.007
_exptl_crystal_F_000             1440
_cod_data_source_file            du0339.cif
_cod_data_source_block           du0339c
_cod_depositor_comments
;
 Correcting the _cell_angle_gamma data item value by changing it from '90' to
 '120' and updating the space group information after consulting the original
 publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_cell_volume        1262.2
_cod_original_sg_symbol_H-M      'R 32'
_cod_original_formula_sum        'Al9 Ni3 Y1'
_cod_database_code               2100948
Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms
Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E.; Acta Crystallographica Section B 49 (1993) 468–474; doi:10.1107/S010876819201173X

data_2100949
_publ_section_title
;
 Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either
 ordered or partly disordered arrangement of Al-atom triangles and
 rare-earth-metal atoms
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              468
_journal_page_last               474
_journal_paper_doi               10.1107/S010876819201173X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Al9 Dy Ni3'
_chemical_formula_weight         581.46
_space_group_crystal_system      trigonal
_space_group_IT_number           155
_space_group_name_Hall           'R 3 2"'
_space_group_name_H-M_alt        'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.2723(9)
_cell_length_b                   7.2723(9)
_cell_length_c                   27.344(6)
_cell_volume                     1446.1(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    4.624
_exptl_crystal_F_000             1602
_cod_data_source_file            du0339.cif
_cod_data_source_block           du0339d
_cod_depositor_comments
;
 Correcting the _cell_angle_gamma data item value by changing it from '90' to
 '120' and updating the space group information after consulting the original
 publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_cell_volume        1252.4
_cod_original_sg_symbol_H-M      'R 32'
_cod_original_formula_sum        'Al9 Dy1 Ni3'
_cod_database_code               2100949
Structure of Gd~3~Ru~4~Al~12~, a new member of the EuMg~5.2~ structure family with minority-atom clusters
Gladyshevskii, R. E.; Strusievicz, O. R.; Cenzual, K.; Parthé, E.; Acta Crystallographica Section B 49 (1993) 474–478; doi:10.1107/S0108768192011510

data_2100950
_publ_section_title
;
 Structure of Gd~3~Ru~4~Al~12~, a new member of the EuMg~5.2~ structure
 family with minority-atom clusters
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              474
_journal_page_last               478
_journal_paper_doi               10.1107/S0108768192011510
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Al12 Gd3 Ru4'
_chemical_formula_weight         1209.44
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.8142(6)
_cell_length_b                   8.8142(6)
_cell_length_c                   9.5692(9)
_cell_volume                     643.83(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    20.330
_exptl_crystal_density_diffrn    6.278
_exptl_crystal_F_000             1056
_cod_data_source_file            du0343.cif
_cod_data_source_block           du0343a
_cod_original_cell_volume        643.80(10)
_cod_original_sg_symbol_H-M      'P 63/mmc'
_cod_database_code               2100950
Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers: structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5, SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of relative binding strengths for crown ligands
Alcock, N. W.; Ravindran, M.; Willey, G. R.; Acta Crystallographica Section B 49 (1993) 507–514; doi:10.1107/S0108768192009595

data_2100951
_publ_section_title
;
 Preparations and structural correlations for the complexes of
 <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers:
 structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5,
 SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of
 relative binding strengths for crown ligands
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              507
_journal_page_last               514
_journal_paper_doi               10.1107/S0108768192009595
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C8 H16 O4,As Cl3'
_chemical_formula_sum            'C8 H16 As Cl3 O4'
_chemical_formula_weight         357.5
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.864(4)
_cell_length_b                   11.876(5)
_cell_length_c                   14.936(8)
_cell_volume                     1394.9(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.300
_exptl_crystal_density_diffrn    1.70
_cod_data_source_file            ha0112.cif
_cod_data_source_block           ha0112a
_cod_original_cell_volume        1395
_cod_database_code               2100951
Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers: structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5, SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of relative binding strengths for crown ligands
Alcock, N. W.; Ravindran, M.; Willey, G. R.; Acta Crystallographica Section B 49 (1993) 507–514; doi:10.1107/S0108768192009595

data_2100952
_publ_section_title
;
 Preparations and structural correlations for the complexes of
 <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers:
 structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5,
 SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of
 relative binding strengths for crown ligands
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              507
_journal_page_last               514
_journal_paper_doi               10.1107/S0108768192009595
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C10 H20 O5,As Cl3'
_chemical_formula_sum            'C10 H20 As Cl3 O5'
_chemical_formula_weight         401.6
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.731(3)
_cell_length_b                   12.815(4)
_cell_length_c                   16.011(6)
_cell_volume                     1586.3(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.266
_exptl_crystal_density_diffrn    1.68
_cod_data_source_file            ha0112.cif
_cod_data_source_block           ha0112b
_cod_original_cell_volume        1586
_cod_database_code               2100952
Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers: structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5, SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of relative binding strengths for crown ligands
Alcock, N. W.; Ravindran, M.; Willey, G. R.; Acta Crystallographica Section B 49 (1993) 507–514; doi:10.1107/S0108768192009595

data_2100953
_publ_section_title
;
 Preparations and structural correlations for the complexes of
 <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers:
 structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5,
 SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of
 relative binding strengths for crown ligands
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              507
_journal_page_last               514
_journal_paper_doi               10.1107/S0108768192009595
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C8 H16 O4,Cl3 Sb'
_chemical_formula_sum            'C8 H16 Cl3 O4 Sb'
_chemical_formula_weight         404.4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2ya'
_symmetry_space_group_name_H-M   'P 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.49(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.988(9)
_cell_length_b                   7.938(3)
_cell_length_c                   12.022(9)
_cell_volume                     1430.3(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.250
_exptl_crystal_density_diffrn    1.88
_cod_data_source_file            ha0112.cif
_cod_data_source_block           ha0112c
_cod_original_cell_volume        1430
_cod_database_code               2100953
Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers: structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5, SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of relative binding strengths for crown ligands
Alcock, N. W.; Ravindran, M.; Willey, G. R.; Acta Crystallographica Section B 49 (1993) 507–514; doi:10.1107/S0108768192009595

data_2100954
_publ_section_title
;
 Preparations and structural correlations for the complexes of
 <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers:
 structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5,
 SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of
 relative binding strengths for crown ligands
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              507
_journal_page_last               514
_journal_paper_doi               10.1107/S0108768192009595
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C10 H20 O5,Bi Cl3'
_chemical_formula_sum            'C10 H20 Bi Cl3 O5'
_chemical_formula_weight         535.7
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.692(2)
_cell_length_b                   13.285(3)
_cell_length_c                   15.939(4)
_cell_volume                     1628.8(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.130
_exptl_crystal_density_diffrn    2.19
_cod_data_source_file            ha0112.cif
_cod_data_source_block           ha0112d
_cod_original_cell_volume        1628
_cod_database_code               2100954
Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine
Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.; Acta Crystallographica Section B 49 (1993) 547–559; doi:10.1107/S0108768193000217

data_2100955
_publ_section_title
;
 Structures of nine histamine H~2~ antagonists related to
 <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              547
_journal_page_last               559
_journal_paper_doi               10.1107/S0108768193000217
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C11 H15 N5 S1'
_chemical_formula_sum            'C11 H15 N5 S'
_chemical_formula_weight         249.33
_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                116.000(10)
_cell_angle_beta                 102.00(2)
_cell_angle_gamma                96.78(2)
_cell_formula_units_Z            2
_cell_length_a                   7.482(2)
_cell_length_b                   9.775(2)
_cell_length_c                   10.0190(10)
_cell_volume                     625.7(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54018
_exptl_absorpt_coefficient_mu    2.121
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_F_000             264
_cod_data_source_file            ha0114.cif
_cod_data_source_block           ha0114a
_cod_original_cell_volume        625.7
_cod_original_formula_sum        'C11 H15 N5 S1'
_cod_database_code               2100955
Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine
Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.; Acta Crystallographica Section B 49 (1993) 547–559; doi:10.1107/S0108768193000217

data_2100956
_publ_section_title
;
 Structures of nine histamine H~2~ antagonists related to
 <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              547
_journal_page_last               559
_journal_paper_doi               10.1107/S0108768193000217
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C12 H17 N5 O1 S1'
_chemical_formula_sum            'C12 H17 N5 O S'
_chemical_formula_weight         279.36
_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                 99.32
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.670(4)
_cell_length_b                   14.095(4)
_cell_length_c                   11.682(2)
_cell_volume                     1408.7(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.23
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_F_000             592
_cod_data_source_file            ha0114.cif
_cod_data_source_block           ha0114b
_cod_original_cell_volume        1408.7
_cod_original_formula_sum        'C12 H17 N5 O1 S1'
_cod_database_code               2100956
Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine
Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.; Acta Crystallographica Section B 49 (1993) 547–559; doi:10.1107/S0108768193000217

data_2100957
_publ_section_title
;
 Structures of nine histamine H~2~ antagonists related to
 <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              547
_journal_page_last               559
_journal_paper_doi               10.1107/S0108768193000217
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C11 H14 Br1 N5 S1'
_chemical_formula_sum            'C11 H14 Br N5 S'
_chemical_formula_weight         328.23
_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                 100.4(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.928(4)
_cell_length_b                   9.183(2)
_cell_length_c                   14.229(8)
_cell_volume                     1404(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.23
_exptl_crystal_density_diffrn    1.55
_exptl_crystal_F_000             664
_cod_data_source_file            ha0114.cif
_cod_data_source_block           ha0114c
_cod_original_cell_volume        1404.42
_cod_original_formula_sum        'C11 H14 Br1 N5 S1'
_cod_database_code               2100957