LMucko/crystallography-open-database huggingface dataset:
Framework Contraction in Na-Stuffed Si(cF136)
Matt Beekman; Emmanuel N. Nenghabi; Koushik Biswas; Charles W. Myles; Michael Baitinger; Yuri Grin; George S. Nolas; Inorganic Chemistry 49 (2010) 5338–5340; doi:10.1021/ic1005049

data_4315870
_publ_section_title
;
 Framework Contraction in Na-Stuffed Si(cF136)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5338
_journal_page_last               5340
_journal_paper_doi               10.1021/ic1005049
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Na2.72 Si17'
_chemical_formula_weight         539.97
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             2009-12-26T15:38
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2009-12-26T15:38  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.70974(21)
_cell_length_b                   14.70974
_cell_length_c                   14.70974
_cell_volume                     3182.84(5)
_computing_structure_refinement  GSAS
_pd_block_id
2009-12-26T15:38|MB514_PUBLISH_phase1|M._Beekman||
_pd_phase_name                   'from C:/gsas/MyWork/MB541_PUBLISH.EXP'
_refine_ls_goodness_of_fit_all   1.31
_refine_ls_matrix_type           full
_refine_ls_number_parameters     37
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic1005049_si_002_03.cif
_cod_data_source_block           MB514_PUBLISH_phase_1
_cod_original_cell_volume        3182.84(14)
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               4315870
_cod_database_fobs_code          4315870
Framework Contraction in Na-Stuffed Si(cF136)
Matt Beekman; Emmanuel N. Nenghabi; Koushik Biswas; Charles W. Myles; Michael Baitinger; Yuri Grin; George S. Nolas; Inorganic Chemistry 49 (2010) 5338–5340; doi:10.1021/ic1005049

data_4315871
_publ_section_title
;
 Framework Contraction in Na-Stuffed Si(cF136)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5338
_journal_page_last               5340
_journal_paper_doi               10.1021/ic1005049
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Na2.12 Si17'
_chemical_formula_weight         526.26
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             2009-12-26T17:53
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2009-12-26T17:53  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.68474(19)
_cell_length_b                   14.68474
_cell_length_c                   14.68474
_cell_volume                     3166.64(4)
_computing_structure_refinement  GSAS
_pd_block_id
2009-12-26T17:53|MB421_PUBLISH_phase1|M._Beekman||
_pd_phase_name                   'from C:/gsas/MyWork/MB514_PUBLISH.EXP'
_refine_ls_goodness_of_fit_all   1.27
_refine_ls_matrix_type           full
_refine_ls_number_parameters     38
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic1005049_si_002_05.cif
_cod_data_source_block           MB421_PUBLISH_phase_1
_cod_original_cell_volume        3166.64(12)
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               4315871
_cod_database_fobs_code          4315871
Framework Contraction in Na-Stuffed Si(cF136)
Matt Beekman; Emmanuel N. Nenghabi; Koushik Biswas; Charles W. Myles; Michael Baitinger; Yuri Grin; George S. Nolas; Inorganic Chemistry 49 (2010) 5338–5340; doi:10.1021/ic1005049

data_4315872
_publ_section_title
;
 Framework Contraction in Na-Stuffed Si(cF136)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5338
_journal_page_last               5340
_journal_paper_doi               10.1021/ic1005049
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Na1.73 Si17'
_chemical_formula_weight         517.20
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             2009-12-26T18:55
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2009-12-26T18:55  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.66845(19)
_cell_length_b                   14.66845
_cell_length_c                   14.66845
_cell_volume                     3156.11(4)
_computing_structure_refinement  GSAS
_pd_block_id
2009-12-26T18:55|MB560_PUBLISH_phase1|M._Beekman||
_pd_phase_name                   'from C:/gsas/MyWork/MB421_PUBLISH.EXP'
_refine_ls_goodness_of_fit_all   1.38
_refine_ls_matrix_type           full
_refine_ls_number_parameters     36
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            ic1005049_si_002_07.cif
_cod_data_source_block           MB560_PUBLISH_phase_1
_cod_original_cell_volume        3156.12(12)
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               4315872
_cod_database_fobs_code          4315872
Framework Contraction in Na-Stuffed Si(cF136)
Matt Beekman; Emmanuel N. Nenghabi; Koushik Biswas; Charles W. Myles; Michael Baitinger; Yuri Grin; George S. Nolas; Inorganic Chemistry 49 (2010) 5338–5340; doi:10.1021/ic1005049

data_4315873
_publ_section_title
;
 Framework Contraction in Na-Stuffed Si(cF136)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5338
_journal_page_last               5340
_journal_paper_doi               10.1021/ic1005049
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Na1.57 Si17'
_chemical_formula_weight         513.50
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             2009-12-27T10:45
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2009-12-27T10:45  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.66109(22)
_cell_length_b                   14.66109
_cell_length_c                   14.66109
_cell_volume                     3151.37(5)
_computing_structure_refinement  GSAS
_pd_block_id
2009-12-27T10:45|MB364_PUBLISH_phase1|M._Beekman||
_pd_phase_name                   'from C:/gsas/MyWork/MB560_PUBLISH.EXP'
_refine_ls_goodness_of_fit_all   1.28
_refine_ls_matrix_type           full
_refine_ls_number_parameters     39
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.03
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            ic1005049_si_002_09.cif
_cod_data_source_block           MB364_PUBLISH_phase_1
_cod_original_cell_volume        3151.37(14)
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               4315873
_cod_database_fobs_code          4315873
Framework Contraction in Na-Stuffed Si(cF136)
Matt Beekman; Emmanuel N. Nenghabi; Koushik Biswas; Charles W. Myles; Michael Baitinger; Yuri Grin; George S. Nolas; Inorganic Chemistry 49 (2010) 5338–5340; doi:10.1021/ic1005049

data_4315874
_publ_section_title
;
 Framework Contraction in Na-Stuffed Si(cF136)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5338
_journal_page_last               5340
_journal_paper_doi               10.1021/ic1005049
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Na1.37 Si17'
_chemical_formula_weight         508.87
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             2009-12-27T12:23
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2009-12-27T12:23  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.65502(23)
_cell_length_b                   14.65502
_cell_length_c                   14.65502
_cell_volume                     3147.45(5)
_computing_structure_refinement  GSAS
_pd_block_id
2009-12-27T12:23|MB545_PUBLISH_phase1|M._Beekman||
_pd_phase_name                   'from C:/gsas/MyWork/MB364_PUBLISH.EXP'
_refine_ls_goodness_of_fit_all   1.28
_refine_ls_matrix_type           full
_refine_ls_number_parameters     40
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic1005049_si_002_11.cif
_cod_data_source_block           MB545_PUBLISH_phase_1
_cod_original_cell_volume        3147.46(15)
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               4315874
_cod_database_fobs_code          4315874
Framework Contraction in Na-Stuffed Si(cF136)
Matt Beekman; Emmanuel N. Nenghabi; Koushik Biswas; Charles W. Myles; Michael Baitinger; Yuri Grin; George S. Nolas; Inorganic Chemistry 49 (2010) 5338–5340; doi:10.1021/ic1005049

data_4315875
_publ_section_title
;
 Framework Contraction in Na-Stuffed Si(cF136)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5338
_journal_page_last               5340
_journal_paper_doi               10.1021/ic1005049
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Na1.12 Si17'
_chemical_formula_weight         503.27
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             2009-12-27T13:29
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2009-12-27T13:29  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.64540(23)
_cell_length_b                   14.6454
_cell_length_c                   14.6454
_cell_volume                     3141.26(5)
_computing_structure_refinement  GSAS
_pd_block_id
2009-12-27T13:29|MB547_PUBLISH_phase1|M._Beekman||
_pd_phase_name                   'from C:/gsas/MyWork/MB560_PUBLISH.EXP'
_refine_ls_goodness_of_fit_all   1.32
_refine_ls_matrix_type           full
_refine_ls_number_parameters     38
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.07
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic1005049_si_002_13.cif
_cod_data_source_block           MB547_PUBLISH_phase_1
_cod_original_cell_volume        3141.26(15)
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               4315875
_cod_database_fobs_code          4315875
Framework Contraction in Na-Stuffed Si(cF136)
Matt Beekman; Emmanuel N. Nenghabi; Koushik Biswas; Charles W. Myles; Michael Baitinger; Yuri Grin; George S. Nolas; Inorganic Chemistry 49 (2010) 5338–5340; doi:10.1021/ic1005049

data_4315876
_publ_section_title
;
 Framework Contraction in Na-Stuffed Si(cF136)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5338
_journal_page_last               5340
_journal_paper_doi               10.1021/ic1005049
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Na Si17'
_chemical_formula_weight         500.51
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             2009-12-27T14:18
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2009-12-27T14:18  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.64285(21)
_cell_length_b                   14.64285
_cell_length_c                   14.64285
_cell_volume                     3139.62(5)
_computing_structure_refinement  GSAS
_pd_block_id
2009-12-27T14:18|MB543_PUBLISH_phase1|M._Beekman||
_pd_phase_name                   'from C:/gsas/MyWork/MB541_PUBLISH.EXP'
_refine_ls_goodness_of_fit_all   1.36
_refine_ls_matrix_type           full
_refine_ls_number_parameters     38
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic1005049_si_002_15.cif
_cod_data_source_block           MB543_PUBLISH_phase_1
_cod_original_cell_volume        3139.62(14)
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Na1.00 Si17'
_cod_database_code               4315876
_cod_database_fobs_code          4315876
Framework Contraction in Na-Stuffed Si(cF136)
Matt Beekman; Emmanuel N. Nenghabi; Koushik Biswas; Charles W. Myles; Michael Baitinger; Yuri Grin; George S. Nolas; Inorganic Chemistry 49 (2010) 5338–5340; doi:10.1021/ic1005049

data_4315877
_publ_section_title
;
 Framework Contraction in Na-Stuffed Si(cF136)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5338
_journal_page_last               5340
_journal_paper_doi               10.1021/ic1005049
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Na0.85 Si17'
_chemical_formula_weight         497.07
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             2009-12-27T14:55
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2009-12-27T14:55  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.64180(22)
_cell_length_b                   14.6418
_cell_length_c                   14.6418
_cell_volume                     3138.94(5)
_computing_structure_refinement  GSAS
_pd_block_id
2009-12-27T14:55|MB483_PUBLISH_phase1|M._Beekman||
_pd_phase_name                   'from C:/gsas/MyWork/MB543_PUBLISH.EXP'
_refine_ls_goodness_of_fit_all   1.37
_refine_ls_matrix_type           full
_refine_ls_number_parameters     37
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.07
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic1005049_si_002_17.cif
_cod_data_source_block           MB483_PUBLISH_phase_1
_cod_original_cell_volume        3138.94(14)
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               4315877
_cod_database_fobs_code          4315877
Framework Contraction in Na-Stuffed Si(cF136)
Matt Beekman; Emmanuel N. Nenghabi; Koushik Biswas; Charles W. Myles; Michael Baitinger; Yuri Grin; George S. Nolas; Inorganic Chemistry 49 (2010) 5338–5340; doi:10.1021/ic1005049

data_4315878
_publ_section_title
;
 Framework Contraction in Na-Stuffed Si(cF136)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5338
_journal_page_last               5340
_journal_paper_doi               10.1021/ic1005049
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Na0.7 Si17'
_chemical_formula_weight         493.60
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             2009-12-27T15:38
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2009-12-27T15:38  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.64384(21)
_cell_length_b                   14.64384
_cell_length_c                   14.64384
_cell_volume                     3140.26(5)
_computing_structure_refinement  GSAS
_pd_block_id
2009-12-27T15:38|MB446_PUBLISH_phase1|M._Beekman||
_pd_phase_name                   'from C:/gsas/MyWork/MB483_PUBLISH.EXP'
_refine_ls_goodness_of_fit_all   1.37
_refine_ls_matrix_type           full
_refine_ls_number_parameters     37
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.08
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            ic1005049_si_002_19.cif
_cod_data_source_block           MB446_PUBLISH_phase_1
_cod_original_cell_volume        3140.26(13)
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Na0.70 Si17'
_cod_database_code               4315878
_cod_database_fobs_code          4315878
Framework Contraction in Na-Stuffed Si(cF136)
Matt Beekman; Emmanuel N. Nenghabi; Koushik Biswas; Charles W. Myles; Michael Baitinger; Yuri Grin; George S. Nolas; Inorganic Chemistry 49 (2010) 5338–5340; doi:10.1021/ic1005049

data_4315879
_publ_section_title
;
 Framework Contraction in Na-Stuffed Si(cF136)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5338
_journal_page_last               5340
_journal_paper_doi               10.1021/ic1005049
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Na0.13 Si17'
_chemical_formula_weight         480.41
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_author_name               'M. Beekman'
_audit_creation_date             2009-12-27T17:12
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2009-12-27T17:12  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.64774(17)
_cell_length_b                   14.64774
_cell_length_c                   14.64774
_cell_volume                     3142.76(4)
_computing_structure_refinement  GSAS
_pd_block_id
2009-12-27T17:12|MB566_PUBLISH_phase1|M._Beekman||
_pd_phase_name
'from C:/gsas/MyWork/MB566_NAXSI136_ANISO.EXP'
_refine_ls_goodness_of_fit_all   1.37
_refine_ls_matrix_type           full
_refine_ls_number_parameters     36
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.07
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            ic1005049_si_002_23.cif
_cod_data_source_block           MB566_PUBLISH_phase_1
_cod_original_cell_volume        3142.76(11)
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               4315879
_cod_database_fobs_code          4315879
CaCu3Pt4O12: The First Perovskite with the B Site Fully Occupied by Pt4+
Ikuya Yamada; Yuka Takahashi; Kenya Ohgushi; Norimasa Nishiyama; Ryoji Takahashi; Kohei Wada; Takehiro Kunimoto; Hiroaki Ohfuji; Yohei Kojima; Toru Inoue; Tetsuo Irifune; Inorganic Chemistry 49 (2010) 6778–6780; doi:10.1021/ic100474x

data_4316109
_publ_contact_author_address
;
Department of Chemistry, Graduate School of Science and Engineering,
Ehime University
2-5 Bunkyo-Cho, Matsuyama, Ehime 7090-8577, Japan
;
_publ_contact_author_email       ikuya@chem.sci.ehime-u.ac.jp
_publ_contact_author_fax         81(89)9279590
_publ_contact_author_name        'Dr. I. Yamada'
_publ_contact_author_phone       81(89)9279614
_publ_section_title
;
 CaCu3Pt4O12: The First Perovskite with the B Site Fully Occupied by Pt4+
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6778
_journal_page_last               6780
_journal_paper_doi               10.1021/ic100474x
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Ca Cu3 O12 Pt4'
_space_group_IT_number           204
_symmetry_cell_setting           1
_symmetry_Int_Tables_number      204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   7.4895(1)
_cell_length_b                   7.4895(1)
_cell_length_c                   7.4895(1)
_cell_volume                     420.106(10)
_pd_block_id
2010-06-06|PHASE_01|..creator_name..|..instr_name..
_pd_phase_name                   CaCu3Pt4O12
_cod_data_source_file            ic100474x_si_001.cif
_cod_data_source_block           RIETAN_phase_1
_cod_original_cell_volume        420.10(1)
_cod_original_formula_sum        'Ca Cu3 Pt4 O12'
_cod_database_code               4316109
Heterospin π-Heterocyclic Radical-Anion Salt: Synthesis, Structure, and Magnetic Properties of Decamethylchromocenium [1,2,5]Thiadiazolo[3,4-c][1,2,5]thiadiazolidyl
Nikolay A. Semenov; Nikolay A. Pushkarevsky; Anton V. Lonchakov; Artem S. Bogomyakov; Elena A. Pritchina; Elizaveta A. Suturina; Nina P. Gritsan; Sergey N. Konchenko; Ruediger Mews; Victor I. Ovcharenko; Andrey V. Zibarev; Inorganic Chemistry 49 (2010) 7558–7564; doi:10.1021/ic101064c

data_4316293
_publ_section_title
;
 Heterospin \p-Heterocyclic Radical-Anion Salt: Synthesis, Structure, and
 Magnetic Properties of Decamethylchromocenium
 [1,2,5]Thiadiazolo[3,4-c][1,2,5]thiadiazolidyl
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7558
_journal_page_last               7564
_journal_paper_doi               10.1021/ic101064c
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C22 H30 Cr N4 S2'
_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                 94.869(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7270(4)
_cell_length_b                   27.2622(16)
_cell_length_c                   9.5584(5)
_cell_volume                     2265.9(2)
_cod_data_source_file            ic101064c_si_003.cif
_cod_data_source_block           np291
_cod_original_cell_volume        2265.9
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4316293