LMucko/crystallography-open-database huggingface dataset:
Novel type of oxonium salts H3OM(AsF6)3 (M = Co, Ni): syntheses, structures and some properties
Lutar, K.; Zemva, B.; Borrmann, H.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 957–969; doi:

data_4030840
_publ_section_title
;
 Novel type of oxonium salts H3OM(AsF6)3 (M = Co, Ni): syntheses,
 structures and some properties
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              957
_journal_page_last               969
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'As3 Co F18 H3 O'
_chemical_formula_weight         644.71
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_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                   10.376(1)
_cell_length_b                   13.726(1)
_cell_length_c                   9.328(1)
_cell_volume                     1328.5(2)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    8.922
_exptl_crystal_density_diffrn    3.223
_exptl_crystal_F_000             1196
_refine_ls_goodness_of_fit_ref   1.334
_refine_ls_number_parameters     115
_refine_ls_number_reflns         2604
_refine_ls_R_factor_gt           0.030
_refine_ls_wR_factor_gt          0.074
_cod_data_source_file            EJSSIC-1996-33-957-959-1.cif
_cod_data_source_block           H3OCo(AsF6)3-150K
_cod_original_formula_sum        'H3 As3 Co F18 O'
_cod_database_code               4030840
Novel type of oxonium salts H3OM(AsF6)3 (M = Co, Ni): syntheses, structures and some properties
Lutar, K.; Zemva, B.; Borrmann, H.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 957–969; doi:

data_4030841
_publ_section_title
;
 Novel type of oxonium salts H3OM(AsF6)3 (M = Co, Ni): syntheses,
 structures and some properties
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              957
_journal_page_last               969
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'As3 Co F18 H3 O'
_chemical_formula_weight         644.71
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 90.036(9)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.326(1)
_cell_length_b                   13.702(2)
_cell_length_c                   18.671(2)
_cell_volume                     2641.7(5)
_diffrn_ambient_temperature      90
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    8.974
_exptl_crystal_density_diffrn    3.242
_exptl_crystal_F_000             2392
_refine_ls_goodness_of_fit_ref   1.430
_refine_ls_number_parameters     420
_refine_ls_number_reflns         9215
_refine_ls_R_factor_gt           0.045
_refine_ls_wR_factor_gt          0.0114
_cod_data_source_file            EJSSIC-1996-33-957-959-2.cif
_cod_data_source_block           H3OCo(AsF6)3-90K
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'H3 As3 Co F18 O'
_cod_database_code               4030841
Synthesis and crystal structure of Na2Cu3VS4
Mujica, C.; Llanos, J.; Carvajal, G.; Wittke, O.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 987–992; doi:

data_4030842
_publ_section_title
;
 Synthesis and crystal structure of Na2Cu3VS4
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              987
_journal_page_last               992
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'Cu1.5 Na S2 V0.5'
_chemical_formula_weight         208.48
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.862(1)
_cell_length_b                   3.862(1)
_cell_length_c                   6.822(1)
_cell_volume                     88.12(3)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    11.576
_exptl_crystal_density_diffrn    3.935
_exptl_crystal_F_000             98
_refine_ls_number_parameters     11
_refine_ls_number_reflns         300
_refine_ls_R_factor_gt           0.054
_refine_ls_wR_factor_gt          0.088
_cod_data_source_file            EJSSIC-1996-33-987-992.cif
_cod_data_source_block           Na2Cu3VS4
_cod_original_cell_volume        88.12(5)
_cod_database_code               4030842
Tetra-anionic units in octahedral Re6 thiobromides: the structure of Cs4KRe6S8Br7
Slougui, A.; Ferron, S.; Perrin, A.; Sergent, M.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 1001–1013; doi:

data_4030843
_publ_section_title
;
 Tetra-anionic units in octahedral Re6 thiobromides: the structure of
 Cs4KRe6S8Br7
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1001
_journal_page_last               1013
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'Br7 Cs4 K Re6 S8'
_chemical_formula_weight         2503.82
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      167
_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                   9.9385(9)
_cell_length_b                   9.9385(9)
_cell_length_c                   54.08(1)
_cell_volume                     4626.0(10)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    55.13
_exptl_crystal_density_diffrn    5.59
_exptl_crystal_F_000             6339
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_number_parameters     49
_refine_ls_number_reflns         897
_refine_ls_R_factor_gt           0.026
_refine_ls_wR_factor_gt          0.048
_cod_data_source_file            EJSSIC-1996-33-1001-1013.cif
_cod_data_source_block           Cs4KRe6S8Br7
_cod_original_cell_volume        4826.0(14)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               4030843
Synthesis ans characterization of two new ordered crystallines phases close to ThF4-ZrF4 fluoride glasses. II: Crystal structure of ThZr2F12
Taoudi, A.; Mikou, A.; Laval, J. P.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 1051–1062; doi:

data_4030844
_publ_section_title
;
 Synthesis ans characterization of two new ordered crystallines phases
 close to ThF4-ZrF4 fluoride glasses. II: Crystal structure of ThZr2F12
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1051
_journal_page_last               1062
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'F12 Th Zr2'
_chemical_formula_weight         642.467
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.73(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.895(2)
_cell_length_b                   10.488(2)
_cell_length_c                   7.856(1)
_cell_volume                     815.2(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    80.754
_exptl_crystal_density_diffrn    5.235
_exptl_crystal_F_000             1112
_pd_proc_ls_prof_R_factor        0.064
_pd_proc_ls_prof_wR_factor       0.090
_refine_ls_R_I_factor            0.039
_cod_data_source_file            EJSSIC-1996-33-1051-1062.cif
_cod_data_source_block           ThZr2F12
_cod_depositor_comments
;
Rietveld refinements, Fullprof software
;
_cod_original_sg_symbol_H-M      'I 2/m'
_cod_database_code               4030844
Crystal structure of Sr4OCl6
Hagemann, H.; Kubel, F.; Bill, H.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 1101–1109; doi:

data_4030845
_publ_section_title
;
 Crystal structure of Sr4OCl6
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1101
_journal_page_last               1109
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'Cl6 O Sr4'
_chemical_formula_weight         579.18
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.4513(4)
_cell_length_b                   9.4513(4)
_cell_length_c                   7.2036(10)
_cell_volume                     557.27(8)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.042
_exptl_crystal_density_diffrn    3.452
_exptl_crystal_F_000             524
_refine_ls_number_parameters     26
_refine_ls_number_reflns         451
_refine_ls_R_factor_gt           0.034
_refine_ls_wR_factor_gt          0.024
_cod_data_source_file            EJSSIC-1996-33-1101-1109.cif
_cod_data_source_block           Sr4OCl6
_cod_original_cell_volume        557.27(10)
_cod_database_code               4030845
Hydrothermal synthesis and crystal structures of the novel manganese(II) thioantimonates(III) Mn2Sb2S5(CH3NH2)2 and Mn2Sb2S5(NH2(CH3)3NH2) : layer compounds exhibiting hetero-cubane like building units
Bensch, W.; Schur, M.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 1149–1160; doi:

data_4030846
_publ_section_title
;
 Hydrothermal synthesis and crystal structures of the novel manganese(II)
 thioantimonates(III) Mn2Sb2S5(CH3NH2)2 and Mn2Sb2S5(NH2(CH3)3NH2) : layer
 compounds exhibiting hetero-cubane like building units
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1149
_journal_page_last               1160
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'C2 H10 Mn2 N2 S5 Sb2'
_chemical_formula_weight         575.8
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 107.82(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.326(2)
_cell_length_b                   12.443(2)
_cell_length_c                   12.167(2)
_cell_volume                     1344.2(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.55
_exptl_crystal_density_diffrn    2.845
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_number_parameters     123
_refine_ls_number_reflns         1599
_refine_ls_R_factor_gt           0.0204
_refine_ls_wR_factor_gt          0.0241
_cod_data_source_file            EJSSIC-1996-33-1149-1160-1.cif
_cod_data_source_block           Mn2Sb2S5(CH3NH2)2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4030846
Hydrothermal synthesis and crystal structures of the novel manganese(II) thioantimonates(III) Mn2Sb2S5(CH3NH2)2 and Mn2Sb2S5(NH2(CH3)3NH2) : layer compounds exhibiting hetero-cubane like building units
Bensch, W.; Schur, M.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 1149–1160; doi:

data_4030847
_publ_section_title
;
 Hydrothermal synthesis and crystal structures of the novel manganese(II)
 thioantimonates(III) Mn2Sb2S5(CH3NH2)2 and Mn2Sb2S5(NH2(CH3)3NH2) : layer
 compounds exhibiting hetero-cubane like building units
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1149
_journal_page_last               1160
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'C3 H10 Mn2 N2 S5 Sb2'
_chemical_formula_weight         587.80
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 116.57(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.664(2)
_cell_length_b                   12.732(3)
_cell_length_c                   12.008(2)
_cell_volume                     1458.2(6)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.05
_exptl_crystal_density_diffrn    2.682
_refine_ls_goodness_of_fit_ref   1.08
_refine_ls_number_parameters     128
_refine_ls_number_reflns         3253
_refine_ls_R_factor_gt           0.0317
_refine_ls_wR_factor_gt          0.0415
_cod_data_source_file            EJSSIC-1996-33-1149-1160-2.cif
_cod_data_source_block           Mn2Sb2S5(NH2(CH3)3NH2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4030847
Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels
Mark D. Young; Qiang Zhang; Hong-Cai Zhou; Inorganica Chimica Acta 424 (2015) 216–220; doi:10.1016/j.ica.2014.09.010

data_1518885
_publ_section_title
;
 Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              216
_journal_page_last               220
_journal_paper_doi               10.1016/j.ica.2014.09.010
_journal_volume                  424
_journal_year                    2015
_chemical_formula_sum            'C186 H122 N18 O60 Ru12'
_chemical_formula_weight         4781.86
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                61.526(3)
_cell_angle_beta                 88.200(3)
_cell_angle_gamma                64.395(3)
_cell_formula_units_Z            1
_cell_length_a                   21.7412(12)
_cell_length_b                   22.4139(12)
_cell_length_c                   23.3765(14)
_cell_volume                     8808.3(10)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.547
_exptl_crystal_density_diffrn    0.901
_refine_ls_number_parameters     1237
_refine_ls_number_reflns         30948
_refine_ls_R_factor_gt           0.0661
_refine_ls_wR_factor_gt          0.1778
_cod_data_source_file            ICA-2015-424-216-220-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates provided with the paper
;
_cod_original_cell_volume        8814.7(9)
_cod_database_code               1518885
Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels
Mark D. Young; Qiang Zhang; Hong-Cai Zhou; Inorganica Chimica Acta 424 (2015) 216–220; doi:10.1016/j.ica.2014.09.010

data_1518886
_publ_section_title
;
 Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              216
_journal_page_last               220
_journal_paper_doi               10.1016/j.ica.2014.09.010
_journal_volume                  424
_journal_year                    2015
_chemical_formula_sum            'C168 H82 N12 O60 Ru12'
_chemical_formula_weight         4441.30
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                64.954(2)
_cell_angle_beta                 75.010(2)
_cell_angle_gamma                84.508(2)
_cell_formula_units_Z            1
_cell_length_a                   21.683(3)
_cell_length_b                   22.212(3)
_cell_length_c                   22.233(2)
_cell_volume                     9370(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.511
_exptl_crystal_density_diffrn    0.787
_refine_ls_number_parameters     1100
_refine_ls_number_reflns         21151
_refine_ls_R_factor_gt           0.1212
_refine_ls_wR_factor_gt          0.3774
_cod_data_source_file            ICA-2015-424-216-220-2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates provided with the paper
;
_cod_original_cell_volume        9369.8(18)
_cod_database_code               1518886
Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels
Mark D. Young; Qiang Zhang; Hong-Cai Zhou; Inorganica Chimica Acta 424 (2015) 216–220; doi:10.1016/j.ica.2014.09.010

data_1518887
_publ_section_title
;
 Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              216
_journal_page_last               220
_journal_paper_doi               10.1016/j.ica.2014.09.010
_journal_volume                  424
_journal_year                    2015
_chemical_formula_sum            'C336 H396 Cl12 N12 O108 Ru24'
_chemical_formula_weight         9181.73
_space_group_IT_number           87
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   29.682(7)
_cell_length_b                   29.682(7)
_cell_length_c                   41.882(12)
_cell_volume                     36899(16)
_diffrn_ambient_temperature      213
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.560
_exptl_crystal_density_diffrn    0.826
_refine_ls_number_parameters     555
_refine_ls_number_reflns         16282
_refine_ls_R_factor_gt           0.0829
_refine_ls_wR_factor_gt          0.2678
_cod_data_source_file            ICA-2015-424-216-220-3.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates provided with the paper
;
_cod_original_cell_volume        36898(16)
_cod_database_code               1518887
Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels
Mark D. Young; Qiang Zhang; Hong-Cai Zhou; Inorganica Chimica Acta 424 (2015) 216–220; doi:10.1016/j.ica.2014.09.010

data_1518888
_publ_section_title
;
 Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              216
_journal_page_last               220
_journal_paper_doi               10.1016/j.ica.2014.09.010
_journal_volume                  424
_journal_year                    2015
_chemical_formula_sum            'C192 H96 O120 Ru24'
_chemical_formula_weight         6748.37
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.588(3)
_cell_angle_beta                 112.588(3)
_cell_angle_gamma                103.580(2)
_cell_formula_units_Z            1
_cell_length_a                   22.275(4)
_cell_length_b                   25.028(4)
_cell_length_c                   25.332(7)
_cell_volume                     11160(4)
_diffrn_ambient_temperature      213
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.838
_exptl_crystal_density_diffrn    1.004
_refine_ls_number_parameters     1219
_refine_ls_number_reflns         22953
_refine_ls_R_factor_gt           0.0545
_refine_ls_wR_factor_gt          0.1451
_cod_data_source_file            ICA-2015-424-216-220-4.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates provided with the paper
;
_cod_database_code               1518888