LMucko/crystallography-open-database huggingface dataset:
Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes
Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P.; Inorganic Chemistry 44 (2005) 4133–4135; doi:10.1021/ic0502271

data_1101147
_publ_section_title
;
 Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged
 Polynuclear Gallium(III) Aqua Complexes
;
_journal_issue                   12
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4133
_journal_page_last               4135
_journal_paper_doi               10.1021/ic0502271
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C123 H311 Ga32 N81 O193'
_chemical_formula_weight         8244.570
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                109.424(1)
_cell_angle_beta                 101.987(1)
_cell_angle_gamma                109.635(1)
_cell_formula_units_Z            1
_cell_length_a                   18.3313(6)
_cell_length_b                   21.1360(7)
_cell_length_c                   23.2894(8)
_cell_volume                     7478.8(4)
_cod_data_source_file            ic0502271si20050213_054819.cif
_cod_data_source_block           ga32
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-07-15
;
_cod_database_code               1101147
Structure Determination and Relative Properties of Novel Non-centrosymmetric Borates MM'~4~(BO~3~)~3~ (M=Na, M'=Ca and M=K, M'=Ca, Sr)
Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun; Inorganic Chemistry 45 (2006) 3042–3047; doi:10.1021/ic051494+

data_1101148
_publ_contact_author_address
;
      Beijing National Laboratory for Condensed Matter Physics
      Institute of Physics
      Chinese Academy of Sciences
      P.O.Box 603, Beijing 100080
      People's Republic of China
;
_publ_contact_author_email       xlchen@aphy.iphy.ac.cn
_publ_contact_author_fax         86(10)82649531
_publ_contact_author_name        'Professor Xiaolong Chen'
_publ_contact_author_phone       86(10)82649039
_publ_section_title
;
Structure Determination and Relative Properties of Novel Non-centrosymmetric
Borates MM'~4~(BO~3~)~3~ (M=Na, M'=Ca and M=K, M'=Ca, Sr)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3042
_journal_page_last               3047
_journal_paper_doi               10.1021/ic051494+
_journal_volume                  45
_journal_year                    2006
_chemical_formula_iupac          'Na Ca4 (B O3)3'
_chemical_formula_moiety         'B3 Na O9 Ca4'
_chemical_formula_structural     'Ca4 Na (B O3)3'
_chemical_formula_sum            'B3 Ca4 Na O9'
_chemical_formula_weight         359.73
_space_group_crystal_system      orthorhombic
_space_group_IT_number           40
_space_group_name_Hall           'A 2 -2a'
_space_group_name_H-M_alt        'A m a 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.68004(11)
_cell_length_b                   11.28574(11)
_cell_length_c                   6.48521(6)
_cell_measurement_temperature    295
_cell_volume                     781.68(2)
_diffrn_ambient_temperature      295
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-10

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_original_sg_symbol_Hall     'A a -2a'
_cod_original_formula_sum        'B3 Na O9 Ca4'
_cod_database_code               1101148
Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, M' = Ca and M = K, M' = Ca, Sr)
Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun; Inorganic Chemistry 45 (2006) 3042–3047; doi:10.1021/ic051494+

data_1101149
_publ_contact_author_address
;
      Beijing National Laboratory for Condensed Matter Physics
      Institute of Physics
      Chinese Academy of Sciences
      P.O.Box 603, Beijing 100080
      People's Republic of China
;
_publ_contact_author_email       xlchen@aphy.iphy.ac.cn
_publ_contact_author_fax         86(10)82649531
_publ_contact_author_name        'Professor Xiaolong Chen'
_publ_contact_author_phone       86(10)82649039
_publ_section_title
;
Structure Determination and Relative Properties of Novel Noncentrosymmetric
Borates MM'~4~(BO~3~)~3~ (M = Na, M' = Ca and M = K, M' = Ca, Sr)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3042
_journal_page_last               3047
_journal_paper_doi               10.1021/ic051494+
_journal_volume                  45
_journal_year                    2006
_chemical_formula_iupac          'K Ca4 (B O3)3'
_chemical_formula_moiety         'B3 K O9 Ca4'
_chemical_formula_structural     'Ca4 K (B O3)3'
_chemical_formula_sum            'B3 Ca4 K O9'
_chemical_formula_weight         375.85
_space_group_crystal_system      orthorhombic
_space_group_IT_number           40
_space_group_name_Hall           'A 2 -2a'
_space_group_name_H-M_alt        'A m a 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.63455(10)
_cell_length_b                   11.51705(11)
_cell_length_c                   6.51942(6)
_cell_measurement_temperature    295
_cell_volume                     798.49(2)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    3.161
_pd_proc_ls_prof_R_factor        0.0878
_pd_proc_ls_prof_wR_factor       0.0136
_refine_ls_R_I_factor            0.0693
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-10

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_original_sg_symbol_Hall     'A a -2a'
_cod_original_formula_sum        'B3 K O9 Ca4'
_cod_database_code               1101149
Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, N = Ca and M = K, M' = Ca, Sr)
Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun; Inorganic Chemistry 45 (2006) 3042–3047; doi:10.1021/ic051494+

data_1101150
_publ_contact_author_address
;
      Beijing National Laboratory for Condensed Matter Physics
      Institute of Physics
      Chinese Academy of Sciences
      P.O.Box 603, Beijing 100080
      People's Republic of China
;
_publ_contact_author_email       xlchen@aphy.iphy.ac.cn
_publ_contact_author_fax         86(10)82649531
_publ_contact_author_name        'Professor Xiaolong Chen'
_publ_contact_author_phone       86(10)82649039
_publ_section_title
;
Structure Determination and Relative Properties of Novel Noncentrosymmetric
Borates MM'~4~(BO~3~)~3~ (M = Na, N = Ca and M = K, M' = Ca, Sr)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3042
_journal_page_last               3047
_journal_paper_doi               10.1021/ic051494+
_journal_volume                  45
_journal_year                    2006
_chemical_formula_iupac          'K Sr4 (B O3)3'
_chemical_formula_moiety         'B3 Sr4 K O9'
_chemical_formula_structural     'Sr4 K (B O3)3'
_chemical_formula_sum            'B3 K O9 Sr4'
_chemical_formula_weight         566.01
_space_group_crystal_system      orthorhombic
_space_group_IT_number           40
_space_group_name_Hall           'A 2 -2a'
_space_group_name_H-M_alt        'A m a 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.03843(8)
_cell_length_b                   11.98974(9)
_cell_length_c                   6.88446(5)
_cell_measurement_temperature    295
_cell_volume                     911.14(2)
_diffrn_ambient_temperature      295
_pd_proc_ls_prof_R_factor        0.0712
_pd_proc_ls_prof_wR_factor       0.0959
_refine_ls_R_I_factor            0.0570
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-10

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_original_sg_symbol_Hall     'A a -2a'
_cod_original_formula_sum        'B3 Sr4 K O9'
_cod_database_code               1101150
New Valence-Sandwich [MnII4MnIII4MnII4] Aggregate Showing Single-Molecule Magnet Behavior
Yangguang Li; Wolfgang Wernsdorfer; Rodolphe Clerac; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell; Inorganic Chemistry 45 (2006) 2376–2378; doi:10.1021/ic051819m

data_1101151
_publ_section_title
;
 New Valence-Sandwich [MnII4MnIII4MnII4] Aggregate Showing
 Single-Molecule Magnet Behavior
;
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2376
_journal_page_last               2378
_journal_paper_doi               10.1021/ic051819m
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C44 H88 Mn12 O42'
_chemical_formula_weight         1948.42
_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                 96.596(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.8465(12)
_cell_length_b                   14.2914(14)
_cell_length_c                   20.564(2)
_cell_measurement_temperature    100(2)
_cell_volume                     3458.5(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.871
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1101151
Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)
Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren; Inorganic Chemistry 45 (2006) 3588–3593; doi:10.1021/ic051916f

data_1101153
_publ_section_title
;
 Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of
 Three New Transition-Metal Borophosphates
 Na5(H3O){MII3[B3O3(OH)]3(PO4)6}&#x00B7;2H2O (MII = Mn, Co, Ni)
;
_journal_issue                   9
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3588
_journal_page_last               3593
_journal_paper_doi               10.1021/ic051916f
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'B9 Co3 H10 Na5 O39 P6'
_chemical_formula_weight         1208.93
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   11.7691(15)
_cell_length_b                   11.7691(15)
_cell_length_c                   12.112(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1452.8(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.764
_cod_original_formula_sum        'H10 B9 Co3 Na5 O39 P6'
_cod_database_code               1101153
Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)
Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren; Inorganic Chemistry 45 (2006) 3588–3593; doi:10.1021/ic051916f

data_1101154
_publ_section_title
;
 Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of
 Three New Transition-Metal Borophosphates
 Na5(H3O){MII3[B3O3(OH)]3(PO4)6}&#x00B7;2H2O (MII = Mn, Co, Ni)
;
_journal_issue                   9
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3588
_journal_page_last               3593
_journal_paper_doi               10.1021/ic051916f
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'B9 H10 Mn3 Na5 O39 P6'
_chemical_formula_weight         1196.96
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   11.9683(5)
_cell_length_b                   11.9683(5)
_cell_length_c                   12.1303(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1504.76(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.642
_cod_original_formula_sum        'H10 B9 Mn3 Na5 O39 P6'
_cod_database_code               1101154
Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)
Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren; Inorganic Chemistry 45 (2006) 3588–3593; doi:10.1021/ic051916f

data_1101155
_publ_section_title
;
 Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of
 Three New Transition-Metal Borophosphates
 Na5(H3O){MII3[B3O3(OH)]3(PO4)6}&#x00B7;2H2O (MII = Mn, Co, Ni)
;
_journal_issue                   9
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3588
_journal_page_last               3593
_journal_paper_doi               10.1021/ic051916f
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'B9 H10 Na5 Ni3 O39 P6'
_chemical_formula_weight         1208.27
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   11.7171(5)
_cell_length_b                   11.7171(5)
_cell_length_c                   12.0759(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1435.79(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.795
_cod_original_formula_sum        'H10 B9 Na5 Ni3 O39 P6'
_cod_database_code               1101155
Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.; Inorganic Chemistry 45 (2006) 2669–2677; doi:10.1021/ic051946i

data_1101156
_publ_section_title
;
 Ten-Vertex Iron--Monocarborane Complexes: Synthesis and Reactivity of
 the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2669
_journal_page_last               2677
_journal_paper_doi               10.1021/ic051946i
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C44 H41 B8 Fe2 N O7 P2'
_chemical_formula_weight         955.90
_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                 113.414(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   16.2454(12)
_cell_length_b                   56.345(4)
_cell_length_c                   16.3333(13)
_cell_measurement_temperature    110(2)
_cell_volume                     13719.6(18)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.388
_cod_duplicate_entry             4300712
_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/n'
_cod_database_code               1101156
Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.; Inorganic Chemistry 45 (2006) 2669–2677; doi:10.1021/ic051946i

data_1101157
_publ_section_title
;
 Ten-Vertex Iron--Monocarborane Complexes: Synthesis and Reactivity of
 the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2669
_journal_page_last               2677
_journal_paper_doi               10.1021/ic051946i
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C40 H39 B8 Fe N O3 P2'
_chemical_formula_weight         785.99
_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                80.587(2)
_cell_angle_beta                 85.802(2)
_cell_angle_gamma                82.398(2)
_cell_formula_units_Z            2
_cell_length_a                   11.6121(6)
_cell_length_b                   11.7781(6)
_cell_length_c                   14.4449(8)
_cell_measurement_temperature    110(2)
_cell_volume                     1929.19(18)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.353
_cod_duplicate_entry             4300713
_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_database_code               1101157
Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.; Inorganic Chemistry 45 (2006) 2669–2677; doi:10.1021/ic051946i

data_1101158
_publ_section_title
;
 Ten-Vertex Iron--Monocarborane Complexes: Synthesis and Reactivity of
 the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2669
_journal_page_last               2677
_journal_paper_doi               10.1021/ic051946i
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C40 H39 B8 Fe N O3 P2'
_chemical_formula_weight         785.99
_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                 94.854(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.990(3)
_cell_length_b                   14.936(3)
_cell_length_c                   17.660(4)
_cell_measurement_temperature    110(2)
_cell_volume                     3939.7(14)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.325
_cod_duplicate_entry             4300714
_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/n'
_cod_database_code               1101158
Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.; Inorganic Chemistry 45 (2006) 2669–2677; doi:10.1021/ic051946i

data_1101159
_publ_section_title
;
 Ten-Vertex Iron--Monocarborane Complexes: Synthesis and Reactivity of
 the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2669
_journal_page_last               2677
_journal_paper_doi               10.1021/ic051946i
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C8 H12 B8 Fe2 O7'
_chemical_formula_weight         418.36
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.8803(4)
_cell_length_b                   15.9624(7)
_cell_length_c                   17.6111(7)
_cell_measurement_temperature    110(2)
_cell_volume                     3339.7(2)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.664
_cod_duplicate_entry             4300715
_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               1101159