LMucko/crystallography-open-database huggingface dataset:
Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand
José M. Seco; Miguel Quirós; María J. González Garmendia; Polyhedron 19 (2000) 1005–1013; doi:10.1016/S0277-5387(00)00356-9

data_1101108
_publ_section_title
;
  Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR
  studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as
  bridging ligand
;
_journal_name_full               Polyhedron
_journal_page_first              1005
_journal_page_last               1013
_journal_paper_doi               10.1016/S0277-5387(00)00356-9
_journal_volume                  19
_journal_year                    2000
_chemical_formula_sum            'C70 H54 Cl2 Cu2 N12 O14'
_chemical_formula_weight         1485.23
_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                 112.478(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.522(3)
_cell_length_b                   13.6089(10)
_cell_length_c                   22.327(2)
_cell_measurement_temperature    293(2)
_cell_volume                     6604.0(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.494
_refine_ls_R_factor_obs          0.0496
_refine_ls_wR_factor_obs         0.1402
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1101108
Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand
José M. Seco; Miguel Quirós; María J. González Garmendia; Polyhedron 19 (2000) 1005–1013; doi:10.1016/S0277-5387(00)00356-9

data_1101109
_publ_section_title
;
  Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR
  studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as
  bridging ligand
;
_journal_name_full               Polyhedron
_journal_page_first              1005
_journal_page_last               1013
_journal_paper_doi               10.1016/S0277-5387(00)00356-9
_journal_volume                  19
_journal_year                    2000
_chemical_formula_sum            'C44 H39 Cu2 F12 N8 O4.5 P2'
_chemical_formula_weight         1168.85
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 115.550(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.197(2)
_cell_length_b                   14.495(2)
_cell_length_c                   29.659(3)
_cell_measurement_temperature    293(2)
_cell_volume                     9773.1(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.589
_refine_ls_R_factor_obs          0.1003
_refine_ls_wR_factor_obs         0.2180
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-07-12
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C44 H39 Cu2 F12 N8 O4.50 P2'
_cod_database_code               1101109
Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand
José M. Seco; Miguel Quirós; María J. González Garmendia; Polyhedron 19 (2000) 1005–1013; doi:10.1016/S0277-5387(00)00356-9

data_1101110
_publ_section_title
;
  Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR
  studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as
  bridging ligand
;
_journal_name_full               Polyhedron
_journal_page_first              1005
_journal_page_last               1013
_journal_paper_doi               10.1016/S0277-5387(00)00356-9
_journal_volume                  19
_journal_year                    2000
_chemical_formula_sum            'C36 H24 Cu F12 N6 P2'
_chemical_formula_weight         894.09
_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                 94.382(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   54.836(8)
_cell_length_b                   15.9230(10)
_cell_length_c                   12.2990(10)
_cell_measurement_temperature    293(2)
_cell_volume                     10707.5(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.664
_refine_ls_R_factor_obs          0.0883
_refine_ls_wR_factor_obs         0.2557
_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      'C 2/c'
_cod_database_code               1101110
MAUD software;   () –; doi:

data_1101111
_chemical_formula_sum            'Fe Li O4 P'
_chemical_name_common            'Lithium Iron Phosphate(V)'
_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_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                   10.3328(3)
_cell_length_b                   6.0043(2)
_cell_length_c                   4.6977(2)
_refine_ls_d_res_high            5000
_refine_ls_d_res_low             0
_reflns_d_resolution_high        50
_reflns_d_resolution_low         0.3
_cod_original_formula_sum        'Fe1 Li1 O4 P1'
_cod_database_code               1101111
A ruthenium(II) complex with p-cymene and (S)-2-(anilinomethyl)pyrrolidine
Mustapha Aitali; Larbi El Firdoussi; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós; Acta Crystallographica, Section C 56 (2000) 1088–1089; doi:10.1107/S0108270100008787

data_1101112
_publ_section_title
;
A ruthenium(II) complex with p-cymene and (S)-2-(anilinomethyl)pyrrolidine
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1088
_journal_page_last               1089
_journal_paper_doi               10.1107/S0108270100008787
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'C21 H30 Cl2 N2 Ru'
_chemical_formula_weight         482.44
_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                   8.2107(3)
_cell_length_b                   9.3093(4)
_cell_length_c                   26.8707(9)
_cell_measurement_temperature    295(1)
_cell_volume                     2053.89(13)
_diffrn_ambient_temperature      295(1)
_exptl_crystal_density_diffrn    1.560
_cod_duplicate_entry             2011325
_cod_database_code               1101112
Richard L. Harlow; John M. Novak; Unpublished  () –; doi:

data_1101113
_journal_name_full               Unpublished
_chemical_formula_moiety         Fe(NH4)(SO4)2
_chemical_formula_structural     Fe(NH4)(SO4)2
_chemical_formula_sum            'Fe H4 N O8 S2'
_chemical_name_common            'Iron Ammonium Sulfate'
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            3
_cell_length_a                   4.827522(18)
_cell_length_b                   4.827522
_cell_length_c                   24.40002(13)
_cell_measurement_temperature    295
_cell_volume                     492.45816
_diffrn_ambient_temperature      295
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-14

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-06-14

The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (13 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Fe1 S2 O8 N1 H4'
_cod_database_code               1101113
Synthesis and characterization of the 1:1 adducts of copper(I) halides with bidentate N,N'-bis(benzophenone)-1,2-diiminoethane Schiff base: Crystal structures of [Cu(bz2en)2][CuX2] (X = Br, I) complexes
Kia, Reza; Mirkhani, Valiollah; Harkema, Sybolt; van Hummel, Gerrit J.; Inorganica Chimica Acta 360 (2007) 3369–3375; doi:10.5517/ccngnf5

data_1101114
_publ_section_title
;
 Synthesis and characterization of the 1:1 adducts of copper(I) halides with
 bidentate N,N'-bis(benzophenone)-1,2-diiminoethane Schiff base: Crystal
 structures of [Cu(bz2en)2][CuX2] (X = Br, I) complexes
;
_journal_issue                   10
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              3369
_journal_page_last               3375
_journal_paper_doi               10.5517/ccngnf5
_journal_volume                  360
_journal_year                    2007
_chemical_formula_moiety         'C56 H48 Cu2 I2 N4'
_chemical_formula_sum            'C56 H48 Cu2 I2 N4'
_chemical_formula_weight         1157.92
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.82(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.280(2)
_cell_length_b                   27.440(2)
_cell_length_c                   15.130(2)
_cell_measurement_temperature    293
_cell_volume                     5007.6(12)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.536
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1101114
Dimeric complexes generated by the reaction of 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and silver sulphate: X-ray evidence of the coexistence of two different dimers in the same crystal
Juan M. Salas; M. Angustias Romero; Abderrahman Rahmani; Miguel Quirós; Anales de Quimica, International Edition 92 (1996) 249–254; doi:

data_1101115
_publ_section_title
;
 Dimeric complexes generated by the reaction of
 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and
 silver sulphate: X-ray evidence of the coexistence of
 two different dimers in the same crystal
;
_journal_name_full               'Anales de Quimica, International Edition'
_journal_page_first              249
_journal_page_last               254
_journal_volume                  92
_journal_year                    1996
_chemical_formula_sum            'C7 H13 Ag N4 O6 S'
_chemical_formula_weight         389.14
_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                115.05(2)
_cell_angle_beta                 101.83(3)
_cell_angle_gamma                91.75(2)
_cell_formula_units_Z            2
_cell_length_a                   8.128(3)
_cell_length_b                   8.824(3)
_cell_length_c                   9.993(3)
_cell_measurement_temperature    293
_cell_volume                     630.0(4)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    2.05
_exptl_crystal_density_meas      2.05
_refine_ls_R_factor_obs          0.045
_refine_ls_wR_factor_obs         0.047
_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        'C7 H13 Ag N4 O6 S '
_cod_database_code               1101115
Structural investigations of β-CaAlF5 by coupling powder XRD, NMR, EPR and spectroscopic parameter calculations
Body, M.; Silly, G.; Legein, C.; Buzaré, J.-Y.; Calvayrac, F.; Blaha, P.; Journal of Solid State Chemistry 178 (2005) 3655–3643; doi:10.1016/j.jssc.2005.09.021

data_1101116
_publ_section_title
;
Structural investigations of \b-CaAlF5 by coupling powder XRD, NMR, EPR
and spectroscopic parameter calculations
;
_journal_issue                   12
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              3655
_journal_page_last               3643
_journal_paper_doi               10.1016/j.jssc.2005.09.021
_journal_volume                  178
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_structural     CaAlF5
_chemical_formula_sum            'Al Ca F5'
_chemical_formula_weight         162.051
_chemical_name_common            'Calcium Pentafluoroaluminate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 109.911(1)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   5.3361(1)
_cell_length_b                   9.8298(2)
_cell_length_c                   7.3271(1)
_cell_volume                     361.4(1)
_database_code_amcsd             0018520
_exptl_crystal_density_diffrn    2.979
_cod_original_sg_symbol_Hall     -P_2ybc
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Ca Al F5'
_cod_database_code               1101116
_amcsd_formula_title             CaAlF5
Synthesis and structural studies on metal nitrate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal structure of two new cobalt(II) and copper(II) three-dimensionally hydrogen-bonded complexes and a cadmium(II) complex with unusual geometry
Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas; Inorganica Chimica Acta 277 (1998) 103–110; doi:10.1016/S0020-1693(97)06134-3

data_1101117
_publ_section_title
;
 Synthesis and structural studies on metal nitrate complexes with
 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal
 structure of two new cobalt(II) and copper(II)
 three-dimensionally hydrogen-bonded complexes and a cadmium(II)
 complex with unusual geometry
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              103
_journal_page_last               110
_journal_paper_doi               10.1016/S0020-1693(97)06134-3
_journal_volume                  277
_journal_year                    1998
_chemical_formula_sum            'C20 H24 Cd N10 O10'
_chemical_formula_weight         676.89
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.894(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.5689(4)
_cell_length_b                   18.5279(9)
_cell_length_c                   8.6209(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1309.62(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.717
_refine_ls_R_factor_obs          0.0299
_refine_ls_wR_factor_obs         0.0795
_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/c'
_cod_database_code               1101117
Synthesis, structure and biological activity of a new and efficient Cd(II)-uracil derivative complex system for cleavage of DNA
Nuria A. Illán-Cabeza; Rosario A. Vilaplana; Ysmael Álvarez; Khalid Akdi; Sanae Kamah; Francisco Hueso-Ureña; Miguel Quirós; Francisco González-Vílchez; Miguel N. Moreno-Carretero; JBIC Journal of Biological Inorganic Chemistry 10 (2005) 924–934; doi:10.1007/s00775-005-0045-x

data_1101118
_publ_section_title
;
 Synthesis, structure and biological activity of a new and
 efficient Cd(II)-uracil derivative complex system
 for cleavage of DNA
;
_journal_issue                   8
_journal_name_full
'JBIC Journal of Biological Inorganic Chemistry'
_journal_page_first              924
_journal_page_last               934
_journal_paper_doi               10.1007/s00775-005-0045-x
_journal_volume                  10
_journal_year                    2005
_chemical_formula_sum            'C42 H55 Cd Cl2 N18 O18.5'
_chemical_formula_weight         1291.34
_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                 97.126(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.4479(9)
_cell_length_b                   22.195(2)
_cell_length_c                   17.1200(11)
_cell_measurement_temperature    293(2)
_cell_volume                     5447.5(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.575
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C42 H55 Cd Cl2 N18 O18.50'
_cod_database_code               1101118
Kinetically and thermodynamically controlled formation of homo- and heterobinuclear platinum(II) and palladium(II) complexes supported by bidentate triazolopyrimidine ligands
Jorge A. R. Navarro; M. Angustias Romero; Juan M. Salas; Miguel Quirós; Inorganic Chemistry 36 (1997) 3277–3283; doi:10.1021/ic9609214

data_1101119
_publ_section_title
;
 Kinetically and thermodynamically controlled formation of
 homo- and heterobinuclear platinum(II) and palladium(II)
 complexes supported by bidentate triazolopyrimidine ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3277
_journal_page_last               3283
_journal_paper_doi               10.1021/ic9609214
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C12 H22 N12 O10 Pt'
_chemical_formula_weight         689.51
_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                73.690(10)
_cell_angle_beta                 84.530(10)
_cell_angle_gamma                85.800(10)
_cell_formula_units_Z            2
_cell_length_a                   7.8590(10)
_cell_length_b                   11.811(2)
_cell_length_c                   12.986(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1150.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.991
_refine_ls_R_factor_obs          0.0502
_refine_ls_wR_factor_obs         0.1372
_cod_database_code               1101119
Structural analogues of ferroverdin: Synthesis and X-ray structural study of tris(isonitrosomethylacetoacetato) cobalt(III)
Raj P. Sharma; Vijay Gupta; Kuldip K. Bhasin; Miguel Quirós; Juan M. Salas; Acta Crystallographica, Section C 50 (1994) 1878–1880; doi:10.1107/S0108270194003987

data_1101120
_publ_section_title
;
 Structural analogues of ferroverdin: Synthesis and X-ray structural
 study of tris(isonitrosomethylacetoacetato) cobalt(III)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1878
_journal_page_last               1880
_journal_paper_doi               10.1107/S0108270194003987
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C15 H18 Co N3 O12 '
_chemical_formula_sum            'C15 H18 Co N3 O12'
_chemical_formula_weight         491.25
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 99.55(1)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   10.650(1)
_cell_length_b                   13.895(1)
_cell_length_c                   13.892(1)
_cell_measurement_temperature    293
_cell_volume                     2027(1)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.61
_exptl_crystal_density_meas      1.60
_refine_ls_R_factor_obs          0.056
_refine_ls_wR_factor_obs         0.084
_cod_duplicate_entry             2010323
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-09

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/n'
_cod_original_formula_sum        'C15 H18 Co N3 O12 '
_cod_database_code               1101120
Synthesis, spectroscopic characterisation and X-ray structure of trans-[Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~)
Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós; Journal of Chemical Cristallography 35 (2005) 769–775; doi:10.1007/s10870-005-3886-9

data_1101121
_publ_section_title
;
 Synthesis, spectroscopic characterisation and X-ray structure
 of trans-[Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~)
;
_journal_issue                   10
_journal_name_full               'Journal of Chemical Cristallography'
_journal_page_first              769
_journal_page_last               775
_journal_paper_doi               10.1007/s10870-005-3886-9
_journal_volume                  35
_journal_year                    2005
_chemical_formula_sum            'C8 H32 Co2 Cr2 N12 O15'
_chemical_formula_weight         758.32
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.778(2)
_cell_length_b                   30.457(2)
_cell_length_c                   6.5364(5)
_cell_measurement_temperature    298(2)
_cell_volume                     4932.8(7)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    2.042
_cod_duplicate_entry             1500012
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'orthorrombic' was replaced with
'orthorhombic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               1101121