LMucko/crystallography-open-database huggingface dataset:
A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3
Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 409–422; doi:

data_4030663
_publ_section_title
;
 A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M =
 Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              409
_journal_page_last               422
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Bi19.6 Ni6.4 O40'
_chemical_formula_weight         5111.63
_space_group_IT_number           197
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.141(7)
_cell_length_b                   10.141(7)
_cell_length_c                   10.141(7)
_cell_volume                     1042.9(12)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    8.157
_pd_proc_ls_prof_R_factor        0.1121
_pd_proc_ls_prof_wR_factor       0.1326
_refine_ls_R_I_factor            0.0957
_cod_data_source_file            EJSSIC-1994-31-409-422-6.cif
_cod_data_source_block           6
_cod_depositor_comments
;
Rietveld refinements
;
_cod_original_cell_volume        1043(2)
_cod_database_code               4030663
A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3
Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 409–422; doi:

data_4030664
_publ_section_title
;
 A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M =
 Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              409
_journal_page_last               422
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Bi25 Co O40'
_chemical_formula_weight         5923.42
_space_group_IT_number           197
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.215(1)
_cell_length_b                   10.215(1)
_cell_length_c                   10.215(1)
_cell_volume                     1065.90(18)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    9.215
_pd_proc_ls_prof_R_factor        0.1097
_pd_proc_ls_prof_wR_factor       0.1173
_refine_ls_R_I_factor            0.0503
_cod_data_source_file            EJSSIC-1994-31-409-422-7.cif
_cod_data_source_block           7
_cod_depositor_comments
;
Rietveld refinements
U for Bi1 changed from 0.273(18) to 0.0273(18) for more
coherency with other phases of the series
;
_cod_original_cell_volume        1065.9(3)
_cod_database_code               4030664
A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3
Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 409–422; doi:

data_4030665
_publ_section_title
;
 A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M =
 Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              409
_journal_page_last               422
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Bi23.6 Co1.8 O40'
_chemical_formula_weight         5677.99
_space_group_IT_number           197
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.217(1)
_cell_length_b                   10.217(1)
_cell_length_c                   10.217(1)
_cell_volume                     1066.52(18)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    8.815
_pd_proc_ls_prof_R_factor        0.0737
_pd_proc_ls_prof_wR_factor       0.0949
_refine_ls_R_I_factor            0.0826
_cod_data_source_file            EJSSIC-1994-31-409-422-8.cif
_cod_data_source_block           8
_cod_depositor_comments
;
Rietveld refinements
;
_cod_original_cell_volume        1066.5(3)
_cod_database_code               4030665
A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M = Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3
Rangavittal, N; Guru Row, T. N.; Rao, C. N. R.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 409–422; doi:

data_4030666
_publ_section_title
;
 A study of cubic bismuth oxides of the type Bi(26-x)MxO(40-delta) (M =
 Ti, Mn, Fe, Co, Ni or Pb) related to gamma-Bi2O3
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              409
_journal_page_last               422
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Bi19.7 Co6.2 O40'
_chemical_formula_weight         5122.29
_space_group_IT_number           197
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.210(1)
_cell_length_b                   10.210(1)
_cell_length_c                   10.210(1)
_cell_volume                     1064.33(18)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    8.385
_pd_proc_ls_prof_R_factor        0.1035
_pd_proc_ls_prof_wR_factor       0.1355
_refine_ls_R_I_factor            0.1001
_cod_data_source_file            EJSSIC-1994-31-409-422-9.cif
_cod_data_source_block           9
_cod_depositor_comments
;
Rietveld refinements
;
_cod_original_cell_volume        1064.3(3)
_cod_database_code               4030666
X-ray and neutron-diffraction study of NH4TaF6
Crimberg, C.; Strahle, J.; Laval, J.-P.; Frit, B.; Sonntag, R.; Ihringer, J.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 449–462; doi:

data_4030667
_publ_section_title
;
 X-ray and neutron-diffraction study of NH4TaF6
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              449
_journal_page_last               462
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'F6 H4 N Ta'
_chemical_formula_weight         312.98
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.2718(1)
_cell_length_b                   5.2718(1)
_cell_length_c                   5.2718(1)
_cell_volume                     146.513(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    3.547
_pd_proc_ls_prof_wR_expected     0.066
_pd_proc_ls_prof_wR_factor       0.1212
_refine_ls_R_I_factor            0.0686
_cod_data_source_file            EJSSIC-1994-31-449-462-1.cif
_cod_data_source_block           NH4TaF6-293K
_cod_depositor_comments
; 
Rietveld refinements of combined data (X-rays + neutrons) 
;
_cod_original_cell_volume        146.513(8)
_cod_original_formula_sum        'H4 F6 N Ta'
_cod_database_code               4030667
X-ray and neutron-diffraction study of NH4TaF6
Crimberg, C.; Strahle, J.; Laval, J.-P.; Frit, B.; Sonntag, R.; Ihringer, J.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 449–462; doi:

data_4030668
_publ_section_title
;
 X-ray and neutron-diffraction study of NH4TaF6
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              449
_journal_page_last               462
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'F6 H4 N Ta'
_chemical_formula_weight         312.98
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                96.23(1)
_cell_angle_beta                 96.23(1)
_cell_angle_gamma                96.23(1)
_cell_formula_units_Z            1
_cell_length_a                   5.12(1)
_cell_length_b                   5.12(1)
_cell_length_c                   5.12(1)
_cell_volume                     131.7(4)
_diffrn_ambient_temperature      200
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_pd_proc_ls_prof_wR_expected     0.089
_pd_proc_ls_prof_wR_factor       0.178
_refine_ls_R_I_factor            0.075
_cod_data_source_file            EJSSIC-1994-31-449-462-2.cif
_cod_data_source_block           NH4TaF6-200K
_cod_depositor_comments
; 
Rietveld refinements
;
_cod_original_cell_volume        131.7(8)
_cod_original_sg_symbol_H-M      'R -3 r'
_cod_original_formula_sum        'H4 F6 N Ta'
_cod_database_code               4030668
Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of a Mixed Hexabromoselenate/tellurate(IV), [C6H5(CH3)3N]2[Se0.75Te0.25Br6], and a Mixed catena-poly[(Di-mu-bromobis{tetrabromoselenate/tellurate(IV)})-mu-bromine], [C6H5(CH3)3N]2n[Se1.5Te 0.5Br10.Br2]n
Vitalijus Janickis; Acta Chemica Scandinavica 53 (1999) 188–193; doi:

data_1518721
_publ_section_title
;
 Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of a
 Mixed Hexabromoselenate/tellurate(IV), [C6H5(CH3)3N]2[Se0.75Te0.25Br6],
 and a Mixed
 catena-poly[(Di-mu-bromobis{tetrabromoselenate/tellurate(IV)})-mu-bromine],
 [C6H5(CH3)3N]2n[Se1.5Te 0.5Br10.Br2]n
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              188
_journal_page_last               193
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C18 H28 Br6 N2 Se0.75 Te0.25'
_chemical_formula_weight         843.00
_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                 104.16(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.8060(18)
_cell_length_b                   10.675(2)
_cell_length_c                   14.200(3)
_cell_volume                     1294.3(5)
_diffrn_ambient_temperature      263
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    10.674
_exptl_crystal_density_diffrn    2.163
_exptl_crystal_density_meas      2.16
_exptl_crystal_F_000             797
_refine_ls_number_parameters     130
_refine_ls_number_reflns         1450
_refine_ls_R_factor_gt           0.056
_refine_ls_wR_factor_gt          0.1398
_cod_data_source_file            Acta-Chem-Scand-1999-53-188-193-1.cif
_cod_data_source_block           SeTe-1
_cod_original_cell_volume        1294.3(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1518721
Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of a Mixed Hexabromoselenate/tellurate(IV), [C6H5(CH3)3N]2[Se0.75Te0.25Br6], and a Mixed catena-poly[(Di-mu-bromobis{tetrabromoselenate/tellurate(IV)})-mu-bromine], [C6H5(CH3)3N]2n[Se1.5Te 0.5Br10.Br2]n
Vitalijus Janickis; Acta Chemica Scandinavica 53 (1999) 188–193; doi:

data_1518722
_publ_section_title
;
 Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of a
 Mixed Hexabromoselenate/tellurate(IV), [C6H5(CH3)3N]2[Se0.75Te0.25Br6],
 and a Mixed
 catena-poly[(Di-mu-bromobis{tetrabromoselenate/tellurate(IV)})-mu-bromine],
 [C6H5(CH3)3N]2n[Se1.5Te 0.5Br10.Br2]n
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              188
_journal_page_last               193
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C18 H28 Br12 N2 Se1.5 Te0.5'
_chemical_formula_weight         1413.58
_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                94.13(3)
_cell_angle_beta                 102.19(3)
_cell_angle_gamma                90.47(3)
_cell_formula_units_Z            1
_cell_length_a                   8.6676(17)
_cell_length_b                   8.8614(18)
_cell_length_c                   11.473(2)
_cell_volume                     858.9(3)
_diffrn_ambient_temperature      112
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    16.054
_exptl_crystal_density_diffrn    2.733
_exptl_crystal_density_meas      2.65
_exptl_crystal_F_000             647
_refine_ls_number_parameters     160
_refine_ls_number_reflns         2469
_refine_ls_R_factor_gt           0.0441
_refine_ls_wR_factor_gt          0.1212
_cod_data_source_file            Acta-Chem-Scand-1999-53-188-193-2.cif
_cod_data_source_block           SeTe-2
_cod_database_code               1518722
Crystal structure of Bi2CdO4
Champarnaud-mesjard, J.-C.; Frit, B.; Aftati, A.; El Farissi, M.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 473–486; doi:

data_4030676
_publ_section_title
;
 Crystal structure of Bi2CdO4
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              473
_journal_page_last               486
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Bi2 Cd O4'
_chemical_formula_weight         594.37
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   14.4963(1)
_cell_length_b                   14.4963(1)
_cell_length_c                   9.3193(1)
_cell_volume                     1958.38(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    8.12
_exptl_crystal_density_meas      8.07
_pd_proc_ls_prof_R_factor        0.089
_pd_proc_ls_prof_wR_expected     0.0388
_pd_proc_ls_prof_wR_factor       0.108
_refine_ls_number_parameters     49
_refine_ls_number_reflns         784
_refine_ls_R_I_factor            0.051
_cod_data_source_file            EJSSIC-1994-31-473-486.cif
_cod_data_source_block           Bi2CdO4
_cod_depositor_comments
;
Rietveld refinement, software Fullprof
Cell parameters are different in the abstract and in Table II,
the latter retained
;
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               4030676
Three Rh2(O2CCF3)4L2 compounds, with L = H2O, tetrahydrofuran and acetonitrile
Cotton, F. A.; Kim, Y.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 525–534; doi:

data_4030677
_publ_section_title
;
 Three Rh2(O2CCF3)4L2 compounds, with L = H2O, tetrahydrofuran and
 acetonitrile
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              525
_journal_page_last               534
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'C8 H4 F12 O10 Rh2'
_chemical_formula_weight         693.91
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.982(4)
_cell_length_b                   11.191(1)
_cell_length_c                   27.681(8)
_cell_volume                     4021.5(17)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.764
_exptl_crystal_density_diffrn    2.292
_refine_ls_R_factor_gt           0.070
_refine_ls_wR_factor_gt          0.080
_cod_data_source_file            EJSSIC-1994-31-525-534-1.cif
_cod_data_source_block           Rh-1
_cod_database_code               4030677
Three Rh2(O2CCF3)4L2 compounds, with L = H2O, tetrahydrofuran and acetonitrile
Cotton, F. A.; Kim, Y.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 525–534; doi:

data_4030678
_publ_section_title
;
 Three Rh2(O2CCF3)4L2 compounds, with L = H2O, tetrahydrofuran and
 acetonitrile
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              525
_journal_page_last               534
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'C16 H16 F12 O10 Rh2'
_chemical_formula_weight         802.09
_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                107.35(1)
_cell_angle_beta                 106.82(1)
_cell_angle_gamma                62.04(2)
_cell_formula_units_Z            1
_cell_length_a                   9.403(3)
_cell_length_b                   9.852(2)
_cell_length_c                   8.692(1)
_cell_volume                     668.1(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    11.48
_exptl_crystal_density_diffrn    1.993
_refine_ls_R_factor_gt           0.059
_refine_ls_wR_factor_gt          0.077
_cod_data_source_file            EJSSIC-1994-31-525-534-2.cif
_cod_data_source_block           Rh-2
_cod_depositor_comments
;
F21b z atomic coordinate changed from 0.353(2) to -0.353(2)
;
_cod_database_code               4030678
Three Rh2(O2CCF3)4L2 compounds, with L = H2O, tetrahydrofuran and acetonitrile
Cotton, F. A.; Kim, Y.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 525–534; doi:

data_4030679
_publ_section_title
;
 Three Rh2(O2CCF3)4L2 compounds, with L = H2O, tetrahydrofuran and
 acetonitrile
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              525
_journal_page_last               534
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'C12 H6 F12 N2 O8 Rh2'
_chemical_formula_weight         739.98
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 100.41(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   8.872(3)
_cell_length_b                   8.374(1)
_cell_length_c                   15.260(3)
_cell_volume                     1115.1(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.594
_exptl_crystal_density_diffrn    2.204
_refine_ls_R_factor_gt           0.032
_refine_ls_wR_factor_gt          0.038
_cod_data_source_file            EJSSIC-1994-31-525-534-3.cif
_cod_data_source_block           Rh-3
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4030679
The aqueous chromium sulfate-pyridine system: X-ray structural characterization of chain- and tetranuclear compounds
Cotton, F. A.; Daniels, L. M.; Murillo, C. A.; Zuniga, L. A.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 535–544; doi:

data_4030680
_publ_section_title
;
 The aqueous chromium sulfate-pyridine system: X-ray structural
 characterization of chain- and tetranuclear compounds
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              535
_journal_page_last               544
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'C30 H42 Cr2 N6 O14 S2'
_chemical_formula_weight         878.82
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 108.67(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.682(3)
_cell_length_b                   9.428(2)
_cell_length_c                   17.105(3)
_cell_volume                     1937.6(7)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.7185
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_F_000             912
_refine_ls_number_parameters     328
_refine_ls_number_reflns         3033
_refine_ls_R_factor_gt           0.034
_refine_ls_wR_factor_gt          0.046
_cod_data_source_file            EJSSIC-1994-31-535-544-1.cif
_cod_data_source_block           Cr-1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4030680