LMucko/crystallography-open-database huggingface dataset:
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_4030681
_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            'C40 H48 Cr4 N8 O22 S4'
_chemical_formula_weight         1329.14
_space_group_IT_number           86
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.702(1)
_cell_length_b                   13.702(1)
_cell_length_c                   14.192(1)
_cell_volume                     2664.5(3)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    8.857
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_F_000             1360
_refine_ls_number_parameters     225
_refine_ls_number_reflns         1431
_refine_ls_R_factor_gt           0.038
_refine_ls_wR_factor_gt          0.047
_cod_data_source_file            EJSSIC-1994-31-535-544-2.cif
_cod_data_source_block           Cr-2
_cod_depositor_comments
;
Interatomic distance C7-H9 quite long
;
_cod_original_cell_volume        2664.5(4)
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_database_code               4030681
Tert-butylammonium condensed vanadates. I. Hexakis(tert-butylammonium decavanadate octahydrate)
Averbuch-Pouchot, M.-T.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 557–565; doi:

data_4030682
_publ_section_title
;
 Tert-butylammonium condensed vanadates. I. Hexakis(tert-butylammonium
 decavanadate octahydrate)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              557
_journal_page_last               565
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'C24 H88 N6 O36 V10'
_chemical_formula_weight         1546.394
_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                 114.08(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.684(1)
_cell_length_b                   26.367(3)
_cell_length_c                   10.535(1)
_cell_volume                     2963.1(9)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.5608
_exptl_absorpt_coefficient_mu    0.866
_exptl_crystal_density_diffrn    1.733
_exptl_crystal_F_000             1584
_refine_ls_number_parameters     519
_refine_ls_number_reflns         7056
_refine_ls_R_factor_gt           0.038
_refine_ls_wR_factor_gt          0.042
_cod_data_source_file            EJSSIC-1994-31-557-565.cif
_cod_data_source_block           vanadate
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4030682
Tert-butylammonium condensed vanadates. II. Tert-butylammonium cyclotetravanadate
Averbuch-Pouchot, M.-T.; Durif, A.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 567–573; doi:

data_4030684
_publ_section_title
;
 Tert-butylammonium condensed vanadates. II. Tert-butylammonium
 cyclotetravanadate
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              567
_journal_page_last               573
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'C16 H48 N4 O12 V4'
_chemical_formula_weight         692.634
_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                   14.988(3)
_cell_length_b                   14.988(3)
_cell_length_c                   7.371(2)
_cell_volume                     1655.8(6)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.5608
_exptl_absorpt_coefficient_mu    0.624
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_F_000             720
_refine_ls_number_parameters     75
_refine_ls_number_reflns         1655
_refine_ls_R_factor_gt           0.040
_refine_ls_wR_factor_gt          0.044
_cod_data_source_file            EJSSIC-1994-31-567-573.cif
_cod_data_source_block           tert-butyl-II
_cod_depositor_comments
;
One of the CH3 groups is uncomplete, C3H6,
two hydrogen atoms lacking (one in the list of
atomic coordinates)
;
_cod_original_cell_volume        1655.8(8)
_cod_database_code               4030684
Oxyfluorinated microporous compounds: VI. Synthesis and crystal structure of ULM-4: a new type of fluorinated gallophosphate with encapsulated methylamine
Cavellec, M.; Riou, D.; Ferey, G.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 583–594; doi:

data_4030685
_publ_section_title
;
 Oxyfluorinated microporous compounds: VI. Synthesis and crystal structure
 of ULM-4: a new type of fluorinated gallophosphate with encapsulated
 methylamine
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              583
_journal_page_last               594
_journal_volume                  31
_journal_year                    1994
_chemical_formula_moiety         'F2 Ga3 O12 P3, 2(C H6 N), H2 O'
_chemical_formula_sum            'C2 H14 F2 Ga3 N2 O13 P3'
_chemical_formula_weight         614.22
_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                 93.12(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.672(1)
_cell_length_b                   10.1867(7)
_cell_length_c                   16.788(2)
_cell_volume                     1480.8(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.140
_exptl_crystal_density_diffrn    2.756
_exptl_crystal_F_000             1192
_refine_ls_number_parameters     232
_refine_ls_number_reflns         3621
_refine_ls_R_factor_gt           0.023
_refine_ls_wR_factor_gt          0.063
_cod_data_source_file            EJSSIC-1994-31-584-594.cif
_cod_data_source_block           ULM-4
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4030685
Oxyfluorinated microporous compounds: IX. Synthesis and crystal structure of ULM-8: a new layered fluorinated gallophosphate Ga3(PO4)2(HPO4)(H2O)F2,(N4C6H19)
Serpaggi, F.; Loiseau, T.; Riou, D.; Ferey, G.; Hosseini, M. W.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 595–604; doi:

data_4030686
_publ_section_title
;
 Oxyfluorinated microporous compounds: IX. Synthesis and crystal structure
 of ULM-8: a new layered fluorinated gallophosphate
 Ga3(PO4)2(HPO4)(H2O)F2,(N4C6H19)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              595
_journal_page_last               604
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'C6 H22 F2 Ga3 N4 O13 P3'
_chemical_formula_weight         698.344
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.163(2)
_cell_length_b                   21.989(5)
_cell_length_c                   17.279(3)
_cell_volume                     3861.4(13)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK1a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.733
_exptl_crystal_density_diffrn    2.403
_exptl_crystal_F_000             2744
_refine_ls_number_parameters     322
_refine_ls_number_reflns         3621
_refine_ls_R_factor_gt           0.049
_refine_ls_wR_factor_gt          0.148
_cod_data_source_file            EJSSIC-1994-31-595-604.cif
_cod_data_source_block           ULM-8
_cod_depositor_comments
;
Not seen any micropore inside
;
_cod_database_code               4030686
Oxyfluorinated microporous compounds: X. Synthesis and crystal structure of ULM-9: the new layered fluorinated gallophosphate GaF(PO4), 0.5 piperazine
Riou, D.; Ferey, G.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 605–613; doi:

data_4030687
_publ_section_title
;
 Oxyfluorinated microporous compounds: X. Synthesis and crystal structure
 of ULM-9: the new layered fluorinated gallophosphate GaF(PO4), 0.5
 piperazine
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              605
_journal_page_last               613
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'C2 H6 F Ga N O4 P'
_chemical_formula_weight         227.77
_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                77.040(6)
_cell_angle_beta                 79.624(7)
_cell_angle_gamma                89.711(5)
_cell_formula_units_Z            2
_cell_length_a                   5.1125(5)
_cell_length_b                   6.3450(6)
_cell_length_c                   8.981(1)
_cell_volume                     279.08(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    5.187
_exptl_crystal_density_diffrn    2.711
_exptl_crystal_F_000             224
_refine_ls_number_parameters     92
_refine_ls_number_reflns         1964
_refine_ls_R_factor_gt           0.030
_refine_ls_wR_factor_gt          0.079
_cod_data_source_file            EJSSIC-1994-31-605-613.cif
_cod_data_source_block           ULM-9
_cod_depositor_comments
;
Not seen any micropore inside
;
_cod_database_code               4030687
Conformational and structural studies of N-methylacetohydroxamic acid and of its mono- and dileptic uranium(VI) complexes
Rousselin; Meyer; To be published in Inorganic Chemistry  () –; doi:

data_3000043
_publ_section_title
;
 Conformational and structural studies of N-methylacetohydroxamic acid and
 of its mono- and dileptic uranium(VI) complexes
;
_journal_name_full               'To be published in Inorganic Chemistry'
_chemical_formula_sum            'H12 N2 O14 U'
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.1049(9)
_cell_length_b                   7.8894(5)
_cell_length_c                   11.3276(8)
_cell_measurement_temperature    100
_cell_volume                     1171.16(14)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.212
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0379
_refine_ls_wR_factor_gt          0.0811
_refine_ls_wR_factor_ref         0.0823
_cod_database_code               3000043
_cod_hold_until_date             2015-07-13
A New Class of Structure for Selenium(II) Dithiocomplexes. The Trigonal Molecular Structure of Bis(diethyldithiophosphinato)selenium(II), [Se(S2PEt2)2].
Canseco-Melchor, Graciela; Garcia-Montalvo, Veronica; Toscano, Ruben A.; Cea-Olivares, Raymundo; Acta Chemica Scandinavica 53 (1999) 100–102; doi:

data_1518750
_publ_section_title
;
 A New Class of Structure for Selenium(II) Dithiocomplexes. The Trigonal
 Molecular Structure of Bis(diethyldithiophosphinato)selenium(II),
 [Se(S2PEt2)2].
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              100
_journal_page_last               102
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C8 H20 P2 S4 Se'
_chemical_formula_weight         385.4
_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                 116.40(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.127(1)
_cell_length_b                   12.627(1)
_cell_length_c                   12.298(2)
_cell_volume                     1686.8(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.884
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_F_000             784
_refine_ls_number_parameters     137
_refine_ls_number_reflns         2295
_refine_ls_R_factor_gt           0.0557
_refine_ls_wR_factor_gt          0.0611
_cod_data_source_file            Acta-Chem-Scand-1999-53-100-102.cif
_cod_data_source_block           Se
_cod_depositor_comments
;
No atomic coordinates provided
;
_cod_original_cell_volume        1686.8(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1518750
di-mu-hydroxo-bis(tetraaquarhodium(3+)) tetranitrate tetrahydrate
Vasilchenko Danila; Baidina Iraida; To be published in Inorganic Chemistry  () –; doi:

data_3000044
_publ_section_title
;
 di-mu-hydroxo-bis(tetraaquarhodium(3+)) tetranitrate tetrahydrate
;
_journal_name_full               'To be published in Inorganic Chemistry'
_chemical_formula_sum            'H26 N4 O26 Rh2'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                79.9050(10)
_cell_angle_beta                 84.3240(10)
_cell_angle_gamma                82.9220(10)
_cell_length_a                   5.8763(2)
_cell_length_b                   9.4749(4)
_cell_length_c                   9.6249(3)
_cell_measurement_temperature    296(2)
_cell_volume                     521.93(3)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_R_factor_all          0.0238
_refine_ls_R_factor_gt           0.0216
_refine_ls_wR_factor_gt          0.0562
_refine_ls_wR_factor_ref         0.0575
_cod_database_code               3000044
_cod_hold_until_date             2015-06-22
Crystal structure of a new hydrogen bismuth chromate: HBi3(CrO4)2O3
Kodialam, S.; Kumada, N.; Mackay, R.; Sleight, A. W.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 739–746; doi:

data_4030698
_publ_section_title
;
 Crystal structure of a new hydrogen bismuth chromate: HBi3(CrO4)2O3
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              739
_journal_page_last               746
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Bi3 Cr2 H O11'
_chemical_formula_weight         908
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 92.95(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.527(7)
_cell_length_b                   12.214(3)
_cell_length_c                   14.003(3)
_cell_volume                     944.0(12)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    58.0
_exptl_crystal_density_diffrn    6.381
_exptl_crystal_F_000             1540
_refine_ls_number_parameters     145
_refine_ls_number_reflns         1992
_refine_ls_R_factor_gt           0.041
_refine_ls_wR_factor_gt          0.048
_cod_data_source_file            EJSSIC-1994-31-739-746.cif
_cod_data_source_block           Bi3Cr2
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'H Bi3 Cr2 O11'
_cod_database_code               4030698
High-pressure crystal structures of K Mn F3 below and above the phase transition at Pc=3.1GPa
Asbrink, S; Waskowska, A; European Journal of Solid State Inorganic Chemistry 31 (1994) 747–755; doi:

data_4030699
_publ_section_title
;
 High-pressure crystal structures of K Mn F3 below and above the phase
 transition at Pc=3.1GPa
;
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              747
_journal_page_last               755
_journal_volume                  31
_journal_year                    1994
_chemical_formula_structural     'K Mn F3'
_chemical_formula_sum            'F3 K Mn'
_chemical_formula_weight         151.04
_chemical_name_systematic        'Potassium manganese fluoride'
_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                   4.184(4)
_cell_length_b                   4.184(4)
_cell_length_c                   4.184(4)
_cell_volume                     73.24(12)
_diffrn_ambient_pressure         10
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.771
_exptl_crystal_density_diffrn    3.426
_exptl_crystal_F_000             71
_refine_ls_number_parameters     5
_refine_ls_number_reflns         27
_refine_ls_R_factor_all          0.0355
_cod_data_source_file            EJSSIC-1994-31-747-755-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        73.2(2)
_cod_database_code               4030699
High-pressure crystal structures of K Mn F3 below and above the phase transition at Pc=3.1GPa
Asbrink, S; Waskowska, A; European Journal of Solid State Inorganic Chemistry 31 (1994) 747–755; doi:

data_4030700
_publ_section_title
;
 High-pressure crystal structures of K Mn F3 below and above the phase
 transition at Pc=3.1GPa
;
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              747
_journal_page_last               755
_journal_volume                  31
_journal_year                    1994
_chemical_formula_structural     'K Mn F3'
_chemical_formula_sum            'F3 K Mn'
_chemical_formula_weight         151.04
_chemical_name_systematic        'Potassium manganese fluoride'
_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                   4.155(4)
_cell_length_b                   4.155(4)
_cell_length_c                   4.155(4)
_cell_volume                     71.73(12)
_diffrn_ambient_pressure         2200
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.881
_exptl_crystal_density_diffrn    3.494
_exptl_crystal_F_000             71
_refine_ls_number_parameters     5
_refine_ls_number_reflns         35
_refine_ls_R_factor_all          0.0698
_cod_data_source_file            EJSSIC-1994-31-747-755-2.cif
_cod_data_source_block           2
_cod_original_cell_volume        71.7(2)
_cod_database_code               4030700
High-pressure crystal structures of K Mn F3 below and above the phase transition at Pc=3.1GPa
Asbrink, S; Waskowska, A; European Journal of Solid State Inorganic Chemistry 31 (1994) 747–755; doi:

data_4030701
_publ_section_title
;
 High-pressure crystal structures of K Mn F3 below and above the phase
 transition at Pc=3.1GPa
;
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              747
_journal_page_last               755
_journal_volume                  31
_journal_year                    1994
_chemical_formula_structural     'K Mn F3'
_chemical_formula_sum            'F3 K Mn'
_chemical_formula_weight         151.04
_chemical_name_systematic        'Potassium manganese fluoride'
_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                   4.131(1)
_cell_length_b                   4.131(1)
_cell_length_c                   4.131(1)
_cell_volume                     70.50(3)
_diffrn_ambient_pressure         3000
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.992
_exptl_crystal_density_diffrn    3.558
_exptl_crystal_F_000             71
_refine_ls_number_parameters     5
_refine_ls_number_reflns         39
_refine_ls_R_factor_all          0.0356
_cod_data_source_file            EJSSIC-1994-31-747-755-3.cif
_cod_data_source_block           3
_cod_original_cell_volume        70.50(5)
_cod_database_code               4030701