LMucko/crystallography-open-database huggingface dataset:
Dautel, O. J.; Fourmigue, M.; New Journal of Chemistry 25 (2001) 834–838; doi:10.1039/b010099o

data_7051097
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              834
_journal_page_last               838
_journal_paper_doi               10.1039/b010099o
_journal_volume                  25
_journal_year                    2001
_chemical_formula_moiety         'C9 H6 F2 S6, C12 F4 N4'
_chemical_formula_sum            'C21 H6 F6 N4 S6'
_chemical_formula_weight         620.66
_chemical_name_common            'F2PDT-TTF, TCNQF4'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.546(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.7985(15)
_cell_length_b                   7.0222(5)
_cell_length_c                   23.996(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2322.8(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.775
_refine_ls_R_factor_obs          0.0449
_refine_ls_wR_factor_obs         0.1057
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               7051097
; New Journal of Chemistry 25 (2001) 834–838; doi:10.1039/b010099o

data_7051098
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              834
_journal_page_last               838
_journal_paper_doi               10.1039/b010099o
_journal_volume                  25
_journal_year                    2001
_chemical_formula_moiety         'C11 H8 F2 S8, C12 F4 N4, C2 H3 Cl3'
_chemical_formula_sum            'C25 H11 Cl3 F6 N4 S8'
_chemical_formula_weight         844.21
_chemical_name_common            'F2PDT-EDT-TTF, TCNQF4, TCE'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.28(3)
_cell_angle_beta                 101.93(3)
_cell_angle_gamma                92.84(3)
_cell_formula_units_Z            2
_cell_length_a                   8.5798(17)
_cell_length_b                   11.544(2)
_cell_length_c                   15.944(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1539.5(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.821
_cod_database_code               7051098
Gao, S.; Lam, A. W.-H.; Wen, G.; Wong, W.-T.; Zhang, X.-X.; New Journal of Chemistry 25 (2001) 531–533; doi:10.1039/b010193l

data_7051100
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              531
_journal_page_last               533
_journal_paper_doi               10.1039/b010193l
_journal_volume                  25
_journal_year                    2001
_chemical_formula_moiety         'C40 H54 N8 O25 Tb4 '
_chemical_formula_sum            'C40 H54 N8 O25 Tb4'
_chemical_formula_weight         1682.61
_space_group_IT_number           14
_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                 93.216(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.9780(8)
_cell_length_b                   20.976(1)
_cell_length_c                   11.3418(7)
_cell_measurement_temperature    298.2
_cell_volume                     3082.6(3)
_diffrn_ambient_temperature      298.2
_exptl_crystal_density_diffrn    1.813
_refine_ls_R_factor_obs          0.0605
_refine_ls_wR_factor_obs         0.0710
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 66 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C40 H54 N8 O25 Tb4 '
_cod_database_code               7051100
Ch. Schmidt; E. F. Paulus; V. Boehmer; W. Vogt; New Journal of Chemistry 25 (2001) 374–378; doi:10.1039/b010210p

data_7051101
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              374
_journal_page_last               378
_journal_paper_doi               10.1039/b010210p
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C30 H32 N3'
_chemical_formula_weight         1738.34
_space_group_IT_number           19
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.191(1)
_cell_length_b                   12.292(1)
_cell_length_c                   21.682(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2449.5(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.178
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7051101
Courseille, Christian; Dautant, A.; Mathoniere, C.; Pierre, C.; Verlhac, Jean-Baptiste; Vincent, J.-M.; New Journal of Chemistry  (2001) –; doi:

data_7051102
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_sum            'C25 H16 F3 Mn N6 O5 S'
_chemical_formula_weight         624.44
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.969(4)
_cell_length_b                   7.986(7)
_cell_length_c                   20.429(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2442(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.698
_cod_database_code               7051102
Chaudhuri, N. R.; Hibbs, W.; Maji, T. K.; Mostafa, G.; Mukherjee, Partha Sarathi; New Journal of Chemistry 25 (2001) 760–763; doi:10.1039/b100468i

data_7051108
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              760
_journal_page_last               763
_journal_paper_doi               10.1039/b100468i
_journal_volume                  25
_journal_year                    2001
_chemical_formula_moiety         '2(C18 H44 Cl.5 Cu2 N5.5 O8),2(Cl O4)'
_chemical_formula_sum            'C36 H88 Cl3 Cu4 N11 O24'
_chemical_formula_weight         1419.72
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 110.95(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   11.798(7)
_cell_length_b                   9.585(7)
_cell_length_c                   14.167(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1496.2(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.576
_refine_ls_R_factor_obs          0.0988
_refine_ls_wR_factor_obs         0.2261
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 2/a'
_cod_database_code               7051108
Diskin-Posner, Yael; Goldberg, I.; New Journal of Chemistry 25 (2001) 899–904; doi:10.1039/b100580b

data_7051109
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              899
_journal_page_last               904
_journal_paper_doi               10.1039/b100580b
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C66 H44 N7 Na O14'
_chemical_formula_weight         1182.05
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                115.9721(15)
_cell_angle_beta                 94.1900(17)
_cell_angle_gamma                104.5250(16)
_cell_formula_units_Z            4
_cell_length_a                   17.6260(6)
_cell_length_b                   18.7190(5)
_cell_length_c                   19.8820(5)
_cell_measurement_temperature    110(2)
_cell_volume                     5581.4(3)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.407
_cod_database_code               7051109
Diskin-Posner, Yael; Goldberg, I.; New Journal of Chemistry 25 (2001) 899–904; doi:10.1039/b100580b

data_7051110
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              899
_journal_page_last               904
_journal_paper_doi               10.1039/b100580b
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C72 H49 N8 Na O16'
_chemical_formula_weight         1305.18
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.2180(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.2710(5)
_cell_length_b                   26.2120(9)
_cell_length_c                   24.0160(7)
_cell_measurement_temperature    110(2)
_cell_volume                     12122.1(6)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.430
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7051110
Diskin-Posner, Yael; Goldberg, I.; New Journal of Chemistry 25 (2001) 899–904; doi:10.1039/b100580b

data_7051111
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              899
_journal_page_last               904
_journal_paper_doi               10.1039/b100580b
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C64 H49 N4 Na O9 Zn'
_chemical_formula_weight         1106.43
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.858(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.8640(7)
_cell_length_b                   21.5620(11)
_cell_length_c                   45.165(3)
_cell_measurement_temperature    110(2)
_cell_volume                     10555.9(10)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.392
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7051111
Diskin-Posner, Yael; Goldberg, I.; New Journal of Chemistry 25 (2001) 899–904; doi:10.1039/b100580b

data_7051112
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              899
_journal_page_last               904
_journal_paper_doi               10.1039/b100580b
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C142 H145 N10 Na5 O38 Zn2'
_chemical_formula_weight         2845.38
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.7990(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.7150(5)
_cell_length_b                   13.7960(3)
_cell_length_c                   33.5550(8)
_cell_measurement_temperature    110(2)
_cell_volume                     14201.8(5)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.331
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               7051112
New Compounds with Bridging Dicyanamide and Bis-Chelating 2,2'-Bipyrimidine Ligands: Syntheses, Structural Characterization and Magnetic Properties of Two-Dimensional Materials [Fe2(dca)4(bpym)].H2O and [Fe2(dca)4(bpym)(H2O)2].
Triki, Smail; Thetiot, Franck; Galan-Mascaros, Jose-Ramon; Sala Pala, Jean; Dunbar, R. Kim; New Journal of Chemistry  (2001) –; doi:

data_7051123
_publ_section_title
;
New Compounds with Bridging Dicyanamide and Bis-Chelating 2,2'-Bipyrimidine
Ligands: Syntheses, Structural Characterization and Magnetic Properties of
Two-Dimensional Materials [Fe2(dca)4(bpym)].H2O and [Fe2(dca)4(bpym)(H2O)2].
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_moiety         C16H8N16OFe2
_chemical_formula_sum            'C16 H8 Fe2 N16 O'
_chemical_formula_weight         552.04
_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                   16.203(3)
_cell_length_b                   13.122(3)
_cell_length_c                   10.438(2)
_cell_measurement_temperature    110
_cell_volume                     2219(1)
_diffrn_ambient_temperature      110
_exptl_crystal_density_diffrn    1.65
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 21 time.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C16 H8 N16 O Fe2'
_cod_database_code               7051123
New Compounds with Bridging Dicyanamide and Bis-Chelating 2,2'-Bipyrimidine Ligands: Syntheses, Structural Characterization and Magnetic Properties of Two-Dimensional Materials [Fe2(dca)4(bpym)].H2O and [Fe2(dca)4(bpym)(H2O)2].
Triki, Smail; Thetiot, Franck; Galan-Mascaros, Jose-Ramon; Sala Pala, Jean; Dunbar, R. Kim; New Journal of Chemistry  (2001) –; doi:

data_7051124
_publ_section_title
;
New Compounds with Bridging Dicyanamide and Bis-Chelating 2,2'-Bipyrimidine
Ligands: Syntheses, Structural Characterization and Magnetic Properties of
Two-Dimensional Materials [Fe2(dca)4(bpym)].H2O and [Fe2(dca)4(bpym)(H2O)2].
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_moiety         C16H10N16O2Fe2
_chemical_formula_sum            'C16 H10 Fe2 N16 O2'
_chemical_formula_weight         570.06
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.95(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.384(2)
_cell_length_b                   9.223(2)
_cell_length_c                   13.983(3)
_cell_measurement_temperature    110
_cell_volume                     1081.1(7)
_diffrn_ambient_temperature      110
_exptl_crystal_density_diffrn    1.75
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_adp_type' tag value 'Uij' was replaced with 'Uani' value
18 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C16 H10 N16 O2 Fe2'
_cod_database_code               7051124
Andrews, C. D.; Burrows, A. D.; Lynam, J. M.; Mahon, M.; Palmer, M. T.; New Journal of Chemistry 25 (2001) 824–826; doi:10.1039/b102193l

data_7051125
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              824
_journal_page_last               826
_journal_paper_doi               10.1039/b102193l
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C18 H16 N O P'
_chemical_formula_weight         293.29
_space_group_IT_number           14
_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                90.00
_cell_angle_beta                 112.91(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.501(3)
_cell_length_b                   16.156(3)
_cell_length_c                   11.009(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1556.6(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.252
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               7051125
Andrews, C. D.; Burrows, A. D.; Lynam, J. M.; Mahon, M.; Palmer, M. T.; New Journal of Chemistry 25 (2001) 824–826; doi:10.1039/b102193l

data_7051126
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              824
_journal_page_last               826
_journal_paper_doi               10.1039/b102193l
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C25.5 H22 Cl2 Mo N O3 P'
_chemical_formula_weight         588.25
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                110.50(3)
_cell_angle_beta                 93.69(3)
_cell_angle_gamma                100.85(3)
_cell_formula_units_Z            2
_cell_length_a                   9.762(3)
_cell_length_b                   10.383(4)
_cell_length_c                   14.411(5)
_cell_measurement_temperature    170(2)
_cell_volume                     1330.2(8)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    1.469
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C25.50 H22 Cl2 Mo N O3 P'
_cod_database_code               7051126
Fun, Hoong-Kun; Li, Feng; Niu, Yunyin; Song, Yinglin; Xin, Xinquan; Zheng, Hegen; New Journal of Chemistry 25 (2001) 945–948; doi:10.1039/b102238p

data_7051127
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              945
_journal_page_last               948
_journal_paper_doi               10.1039/b102238p
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C32 H41 Cu2 Mo N2 O P2 S5'
_chemical_formula_weight         914.93
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   29.1337(2)
_cell_length_b                   29.1337(2)
_cell_length_c                   19.7246(2)
_cell_measurement_temperature    293(2)
_cell_volume                     16741.7(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.452
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               7051127
Polycatenane systems from Co(II) and trans-1,2-bis(4-pyridyl)ethene [bpe]. Synthesis and structure of [Co(bpe)2(NCS)2].CH3OH, [Co(bpe)2(H2O)2](ClO4)2.2CH3OH and [Co(bpe)2(H2O)2(CH3OH)2](ClO4)2.bpe.H2O
De Munno, Giovanni; Francesca Cipriani; Donatella Armentano; Miguel Julve; Jose Antonio Real; New Journal of Chemistry  (2001) –; doi:

data_7051132
_publ_section_title
;
Polycatenane systems from Co(II) and trans-1,2-bis(4-pyridyl)ethene [bpe].
Synthesis and structure of [Co(bpe)2(NCS)2].CH3OH,
[Co(bpe)2(H2O)2](ClO4)2.2CH3OH and [Co(bpe)2(H2O)2(CH3OH)2](ClO4)2.bpe.H2O
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_moiety         '[Co(bpe)2(NCS)2].CH3OH'
_chemical_formula_sum            'C27 H24 Co N6 O S2'
_chemical_formula_weight         571.54
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   15.798(5)
_cell_length_b                   15.798(5)
_cell_length_c                   15.674(7)
_cell_measurement_temperature    295
_cell_volume                     3912(2)
_diffrn_ambient_temperature      295
_refine_ls_R_factor_obs          8.48
_refine_ls_wR_factor_obs         13.17
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'C27 H24 S2 Co N6 O'
_cod_database_code               7051132