LMucko/crystallography-open-database huggingface dataset:
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101204
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C4.5 H16 N O10.5 P2 V2'
_chemical_formula_weight         416.00
_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                 104.4230(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.5527(7)
_cell_length_b                   10.0841(5)
_cell_length_c                   18.7813(8)
_cell_measurement_temperature    90(2)
_cell_volume                     2852.7(2)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.937
_cod_duplicate_entry             1101182
_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_original_formula_sum        'C4.50 H16 N O10.50 P2 V2'
_cod_database_code               1101204
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101205
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C5 H16.5 N O10.25 P2 V2'
_chemical_formula_weight         418.51
_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                 103.5300(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.2003(11)
_cell_length_b                   10.2122(7)
_cell_length_c                   18.5903(13)
_cell_measurement_temperature    90(2)
_cell_volume                     2805.7(3)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.982
_cod_duplicate_entry             1101183
_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_original_formula_sum        'C5 H16.50 N O10.25 P2 V2'
_cod_database_code               1101205
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101206
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C5.5 H16 N O9.5 P2 V2'
_chemical_formula_weight         412.01
_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                 103.328(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.712(1)
_cell_length_b                   10.030(1)
_cell_length_c                   18.656(2)
_cell_measurement_temperature    90(2)
_cell_volume                     2861.0(5)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.913
_cod_duplicate_entry             1101184
_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_original_formula_sum        'C5.50 H16 N O9.50 P2 V2'
_cod_database_code               1101206
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101207
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C6 H16.5 N O9.25 P2 V2'
_chemical_formula_weight         414.52
_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                 105.4840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.6403(11)
_cell_length_b                   10.2112(7)
_cell_length_c                   18.6795(14)
_cell_measurement_temperature    90(2)
_cell_volume                     2875.0(4)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.915
_cod_duplicate_entry             1101185
_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_original_formula_sum        'C6 H16.50 N O9.25 P2 V2'
_cod_database_code               1101207
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101208
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C6.5 H17 N O9 P2 V2'
_chemical_formula_weight         417.03
_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                 104.292(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.8220(15)
_cell_length_b                   10.0614(9)
_cell_length_c                   18.6103(17)
_cell_measurement_temperature    90(2)
_cell_volume                     2870.9(5)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.930
_cod_duplicate_entry             1101186
_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_original_formula_sum        'C6.50 H17 N O9 P2 V2'
_cod_database_code               1101208
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101209
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C4.5 H12.75 N O9 P2 V2'
_chemical_formula_weight         388.73
_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                 103.5240(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.2345(10)
_cell_length_b                   10.1817(6)
_cell_length_c                   18.6968(12)
_cell_measurement_temperature    90(2)
_cell_volume                     2819.7(3)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.831
_cod_duplicate_entry             1101187
_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_original_formula_sum        'C4.50 H12.75 N O9 P2 V2'
_cod_database_code               1101209
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101210
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C4 H16 N O10.5 P2 V2'
_chemical_formula_weight         410.00
_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                 101.00(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.003(3)
_cell_length_b                   10.126(2)
_cell_length_c                   18.604(4)
_cell_measurement_temperature    90(2)
_cell_volume                     2774.3(10)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.963
_cod_duplicate_entry             1101188
_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_original_formula_sum        'C4 H16 N O10.50 P2 V2'
_cod_database_code               1101210
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101211
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C5 H15 N O9.5 P2 V2'
_chemical_formula_weight         405.00
_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                 102.5210(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.0877(9)
_cell_length_b                   10.2027(6)
_cell_length_c                   18.6376(11)
_cell_measurement_temperature    90(2)
_cell_volume                     2800.7(3)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.921
_cod_duplicate_entry             1101189
_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_original_formula_sum        'C5 H15 N O9.50 P2 V2'
_cod_database_code               1101211
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101212
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C6 H17 N O9 P2 V2'
_chemical_formula_weight         411.03
_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                 103.8350(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.4228(9)
_cell_length_b                   10.2047(6)
_cell_length_c                   18.7078(11)
_cell_measurement_temperature    90(2)
_cell_volume                     2858.9(3)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.910
_cod_duplicate_entry             1101190
_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               1101212
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101213
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C7 H19.5 N O9 P2 V2'
_chemical_formula_weight         425.56
_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                 103.2520(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.2768(8)
_cell_length_b                   10.2216(6)
_cell_length_c                   18.6279(10)
_cell_measurement_temperature    90(2)
_cell_volume                     2831.4(3)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.997
_cod_duplicate_entry             1101191
_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_original_formula_sum        'C7 H19.50 N O9 P2 V2'
_cod_database_code               1101213
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101214
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C12 H32.75 N2 O18.75 P4 V4'
_chemical_formula_weight         832.79
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   30.947(2)
_cell_length_b                   10.6168(8)
_cell_length_c                   18.6040(14)
_cell_measurement_temperature    90(2)
_cell_volume                     6112.5(8)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.810
_cod_duplicate_entry             1101192
_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               1101214
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101215
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C4 H11 N O7 P2 V'
_chemical_formula_weight         298.02
_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                 103.401(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2895(15)
_cell_length_b                   13.4657(16)
_cell_length_c                   6.0846(7)
_cell_measurement_temperature    90(2)
_cell_volume                     979.5(2)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    2.021
_cod_duplicate_entry             1101193
_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               1101215