LMucko/crystallography-open-database huggingface dataset:
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_4300712
_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_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               4300712
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_4300713
_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_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               4300713
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_4300714
_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_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               4300714
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_4300715
_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_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               4300715
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_4300716
_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            'C31 H38 B8 Cu Fe2 O7 P'
_chemical_formula_weight         815.30
_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                96.175(6)
_cell_angle_beta                 110.698(5)
_cell_angle_gamma                106.957(5)
_cell_formula_units_Z            2
_cell_length_a                   11.4290(14)
_cell_length_b                   12.8599(17)
_cell_length_c                   14.3117(18)
_cell_measurement_temperature    110(2)
_cell_volume                     1829.3(4)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.480
_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               4300716
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_4300717
_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            'C31 H38 Ag B8 Fe2 O7 P'
_chemical_formula_weight         859.63
_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                97.590(4)
_cell_angle_beta                 112.387(4)
_cell_angle_gamma                104.934(4)
_cell_formula_units_Z            2
_cell_length_a                   11.5823(17)
_cell_length_b                   12.8429(19)
_cell_length_c                   14.420(2)
_cell_measurement_temperature    110(2)
_cell_volume                     1851.6(5)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.542
_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               4300717
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_4300718
_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            'C15 H40 B8 Fe O2 P2'
_chemical_formula_weight         456.74
_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                114.448(5)
_cell_angle_beta                 90.694(4)
_cell_angle_gamma                90.124(4)
_cell_formula_units_Z            4
_cell_length_a                   12.6993(14)
_cell_length_b                   13.4499(16)
_cell_length_c                   15.9396(18)
_cell_measurement_temperature    110(2)
_cell_volume                     2478.2(5)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.224
_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               4300718
UF3(H2O)(C2O4)0.5: A Fluoroxalate of Tetravalent Uranium with a Three-Dimensional Framework Structure
Wang, Chih-Ming; Liao, Chia-Hsien; Chen, Pei-Lin; Lii, Kwang-Hwa; Inorganic Chemistry 45 (2006) 1436–1438; doi:10.1021/ic051960v

data_4300719
_publ_section_title
;
UF3(H2O)(C2O4)0.5: A Fluoroxalate of Tetravalent Uranium with a 
Three-Dimensional Framework Structure
;
_journal_issue                   4
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1436
_journal_page_last               1438
_journal_paper_doi               10.1021/ic051960v
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         UF3(H2O)(C2O4)0.5
_chemical_formula_sum            'C H2 F3 O3 U'
_chemical_formula_weight         357.06
_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                 95.42(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.246(3)
_cell_length_b                   6.0882(12)
_cell_length_c                   8.5892(17)
_cell_measurement_temperature    293(2)
_cell_volume                     897.8(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.283
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'monclinic' was replaced with
'monoclinic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4300719
González-Pérez, Josefa María; Alarcón-Payer, Carolina; Castiñeiras, Alfonso; Pivetta, Tiziana; Lezama, Luis; Choquesillo-Lazarte, Duane; Crisponi, Guido; Niclós-Gutiérrez, Juan; Inorganic Chemistry  (2006) –; doi:10.1021/ic051965s

data_4300720
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051965s
_journal_year                    2006
_chemical_formula_moiety         'C36 H44 Cu6 N20 O26, 6(H2 O)'
_chemical_formula_sum            'C36 H56 Cu6 N20 O32'
_chemical_formula_weight         1662.25
_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                 101.613(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.203(2)
_cell_length_b                   10.2445(13)
_cell_length_c                   19.094(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2913.0(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.895
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300720
González-Pérez, Josefa María; Alarcón-Payer, Carolina; Castiñeiras, Alfonso; Pivetta, Tiziana; Lezama, Luis; Choquesillo-Lazarte, Duane; Crisponi, Guido; Niclós-Gutiérrez, Juan; Inorganic Chemistry  (2006) –; doi:10.1021/ic051965s

data_4300721
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051965s
_journal_year                    2006
_chemical_formula_sum            'C20 H34 Cu2 N20 O9'
_chemical_formula_weight         825.75
_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                78.7230(10)
_cell_angle_beta                 76.7690(10)
_cell_angle_gamma                63.5080(10)
_cell_formula_units_Z            1
_cell_length_a                   9.3740(7)
_cell_length_b                   9.4395(7)
_cell_length_c                   10.3261(8)
_cell_measurement_temperature    100(2)
_cell_volume                     791.47(10)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.732
_cod_database_code               4300721
Ae2F2Sb2X4 (Ae= Sr, Ba) new members of the homologous series Ae2F2M1+xX3+x designed from rock salt and fluorite 2D building blocks.
Kabbour, Houria; Cario, Laurent; Inorganic Chemistry  (2006) –; doi:10.1021/ic051969x

data_4300722
_publ_section_title
;
Ae2F2Sb2X4 (Ae= Sr, Ba) new members of the homologous series
Ae2F2M1+xX3+x designed from rock salt and fluorite 2D building blocks.
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051969x
_journal_year                    2006
_chemical_formula_sum            'Ba F Sb Se2'
_chemical_formula_weight         436.01
_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                85.34(3)
_cell_angle_beta                 85.18(3)
_cell_angle_gamma                89.82(3)
_cell_formula_units_Z            4
_cell_length_a                   6.1944(12)
_cell_length_b                   6.3315(13)
_cell_length_c                   13.804(3)
_cell_measurement_temperature    293(2)
_cell_volume                     537.67(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.386
_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               4300722
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051975t

data_4300723
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051975t
_journal_year                    2006
_chemical_formula_sum            'C55 H66 B Cl N8 P Rh S3'
_chemical_formula_weight         1115.48
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.316(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.7652(6)
_cell_length_b                   19.7750(13)
_cell_length_c                   14.1924(9)
_cell_measurement_temperature    243(2)
_cell_volume                     2738.4(3)
_diffrn_ambient_temperature      243(2)
_exptl_crystal_density_diffrn    1.353
_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/m'
_cod_database_code               4300723
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051975t

data_4300724
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051975t
_journal_year                    2006
_chemical_formula_sum            'C53 H76 B Cl Ir N6 O3.5 P S3'
_chemical_formula_weight         1218.81
_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                89.748(6)
_cell_angle_beta                 78.524(4)
_cell_angle_gamma                85.921(5)
_cell_formula_units_Z            4
_cell_length_a                   14.527(4)
_cell_length_b                   17.832(5)
_cell_length_c                   24.242(7)
_cell_measurement_temperature    243(2)
_cell_volume                     6138(3)
_diffrn_ambient_temperature      243(2)
_exptl_crystal_density_diffrn    1.319
_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        'C53 H76 B Cl Ir N6 O3.50 P S3'
_cod_database_code               4300724
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051975t

data_4300725
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051975t
_journal_year                    2006
_chemical_formula_sum            'C48 H40 B Ir N7 O P S3'
_chemical_formula_weight         1061.03
_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                95.8790(10)
_cell_angle_beta                 110.7850(10)
_cell_angle_gamma                113.1320(10)
_cell_formula_units_Z            2
_cell_length_a                   12.2427(7)
_cell_length_b                   14.2180(8)
_cell_length_c                   16.4254(10)
_cell_measurement_temperature    243(2)
_cell_volume                     2358.9(2)
_diffrn_ambient_temperature      243(2)
_exptl_crystal_density_diffrn    1.494
_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               4300725