LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2004) –; doi:10.1021/om0494216

data_4061257
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0494216
_journal_year                    2004
_chemical_formula_sum            'C32 H24 N4 Si'
_chemical_formula_weight         492.64
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.415(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.428(2)
_cell_length_b                   22.986(10)
_cell_length_c                   21.607(9)
_cell_measurement_temperature    293(2)
_cell_volume                     2683.6(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.219
_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 c'
_cod_database_code               4061257
; Organometallics  (2004) –; doi:10.1021/om0494216

data_4061258
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0494216
_journal_year                    2004
_chemical_formula_sum            'C38 H30 N6 Si'
_chemical_formula_weight         598.77
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.192(6)
_cell_length_b                   22.410(10)
_cell_length_c                   11.173(5)
_cell_measurement_temperature    298(2)
_cell_volume                     3804(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.046
_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               4061258
; Organometallics  (2004) –; doi:10.1021/om0494216

data_4061259
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0494216
_journal_year                    2004
_chemical_formula_sum            'C84 H74 N4 O3 Si'
_chemical_formula_weight         1215.56
_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                99.195(17)
_cell_angle_beta                 91.799(16)
_cell_angle_gamma                100.804(18)
_cell_formula_units_Z            2
_cell_length_a                   13.004(11)
_cell_length_b                   14.475(12)
_cell_length_c                   18.847(16)
_cell_measurement_temperature    293(2)
_cell_volume                     3433(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.176
_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               4061259
; Organometallics  (2004) –; doi:10.1021/om049430e

data_4061260
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049430e
_journal_year                    2004
_chemical_formula_sum            'C20 H16 Fe'
_chemical_formula_weight         312.18
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.779(2)
_cell_length_b                   8.392(2)
_cell_length_c                   21.338(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1392.9(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.489
_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               4061260
; Organometallics  (2004) –; doi:10.1021/om049430e

data_4061261
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049430e
_journal_year                    2004
_chemical_formula_sum            'C30 H22 Fe'
_chemical_formula_weight         438.33
_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                74.375(6)
_cell_angle_beta                 74.739(6)
_cell_angle_gamma                84.048(6)
_cell_formula_units_Z            2
_cell_length_a                   8.645(4)
_cell_length_b                   9.245(4)
_cell_length_c                   13.633(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1011.6(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.439
_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               4061261
; Organometallics  (2004) –; doi:10.1021/om049430e

data_4061262
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049430e
_journal_year                    2004
_chemical_formula_sum            'C32 H26 Fe'
_chemical_formula_weight         466.38
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.586(5)
_cell_angle_beta                 82.831(6)
_cell_angle_gamma                75.121(5)
_cell_formula_units_Z            2
_cell_length_a                   6.486(2)
_cell_length_b                   11.683(4)
_cell_length_c                   15.999(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1122.2(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.380
_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               4061262
; Organometallics  (2004) –; doi:10.1021/om049430e

data_4061263
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049430e
_journal_year                    2004
_chemical_formula_sum            'C28 H28 Fe Si2'
_chemical_formula_weight         476.53
_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                104.232(5)
_cell_angle_beta                 102.839(5)
_cell_angle_gamma                97.876(5)
_cell_formula_units_Z            2
_cell_length_a                   8.833(3)
_cell_length_b                   11.547(4)
_cell_length_c                   12.352(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1165.8(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.358
_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               4061263
Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity
Ionkin, Alex S.; Marshall, William J.; Organometallics 23 (2004) 6031–6041; doi:10.1021/om049444k

data_4061264
_publ_section_title
;
 Rare Organometallic Complex of Divalent, Four-Coordinate Iridium:
 Synthesis, Structural Characterization, and First Insights into Reactivity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6031
_journal_page_last               6041
_journal_paper_doi               10.1021/om049444k
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C12 H21 F6 O P'
_chemical_formula_weight         326.26
_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                100.75(2)
_cell_angle_beta                 113.690(10)
_cell_angle_gamma                69.830(10)
_cell_formula_units_Z            2
_cell_length_a                   9.0820(10)
_cell_length_b                   11.1281(10)
_cell_length_c                   8.7645(10)
_cell_measurement_temperature    293(2)
_cell_volume                     760.21(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.425
_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               4061264
Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity
Ionkin, Alex S.; Marshall, William J.; Organometallics 23 (2004) 6031–6041; doi:10.1021/om049444k

data_4061265
_publ_section_title
;
 Rare Organometallic Complex of Divalent, Four-Coordinate Iridium:
 Synthesis, Structural Characterization, and First Insights into Reactivity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6031
_journal_page_last               6041
_journal_paper_doi               10.1021/om049444k
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C12 H20 F6 Ir0.5 O P'
_chemical_formula_weight         421.35
_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                 106.727(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2296(17)
_cell_length_b                   9.6565(14)
_cell_length_c                   14.819(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1539.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.819
_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_original_formula_sum        'C12 H20 F6 Ir0.50 O P'
_cod_database_code               4061265
Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity
Ionkin, Alex S.; Marshall, William J.; Organometallics 23 (2004) 6031–6041; doi:10.1021/om049444k

data_4061266
_publ_section_title
;
 Rare Organometallic Complex of Divalent, Four-Coordinate Iridium:
 Synthesis, Structural Characterization, and First Insights into Reactivity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6031
_journal_page_last               6041
_journal_paper_doi               10.1021/om049444k
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C12 H20.5 F6 Ir0.5 O P'
_chemical_formula_weight         421.85
_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                 107.020(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2311(19)
_cell_length_b                   9.6227(17)
_cell_length_c                   14.919(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1541.7(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.817
_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_original_formula_sum        'C12 H20.50 F6 Ir0.50 O P'
_cod_database_code               4061266
Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity
Ionkin, Alex S.; Marshall, William J.; Organometallics 23 (2004) 6031–6041; doi:10.1021/om049444k

data_4061267
_publ_section_title
;
 Rare Organometallic Complex of Divalent, Four-Coordinate Iridium:
 Synthesis, Structural Characterization, and First Insights into Reactivity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6031
_journal_page_last               6041
_journal_paper_doi               10.1021/om049444k
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C24 H43 F12 Ir O2 P2'
_chemical_formula_weight         845.72
_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                 105.1486(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4912(8)
_cell_length_b                   21.647(2)
_cell_length_c                   15.9761(15)
_cell_measurement_temperature    293(2)
_cell_volume                     3168.3(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.773
_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               4061267
Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity
Ionkin, Alex S.; Marshall, William J.; Organometallics 23 (2004) 6031–6041; doi:10.1021/om049444k

data_4061268
_publ_section_title
;
 Rare Organometallic Complex of Divalent, Four-Coordinate Iridium:
 Synthesis, Structural Characterization, and First Insights into Reactivity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6031
_journal_page_last               6041
_journal_paper_doi               10.1021/om049444k
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C32 H41 F12 Ir N O2 P'
_chemical_formula_weight         922.83
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.9130(15)
_cell_angle_beta                 74.5780(15)
_cell_angle_gamma                84.4410(15)
_cell_formula_units_Z            2
_cell_length_a                   9.4579(8)
_cell_length_b                   13.6204(12)
_cell_length_c                   14.8067(13)
_cell_measurement_temperature    293(2)
_cell_volume                     1766.2(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.735
_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               4061268
Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity
Ionkin, Alex S.; Marshall, William J.; Organometallics 23 (2004) 6031–6041; doi:10.1021/om049444k

data_4061269
_publ_section_title
;
 Rare Organometallic Complex of Divalent, Four-Coordinate Iridium:
 Synthesis, Structural Characterization, and First Insights into Reactivity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6031
_journal_page_last               6041
_journal_paper_doi               10.1021/om049444k
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C33 H30 Cl F12 Ir N2 O2'
_chemical_formula_weight         942.24
_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                100.636(3)
_cell_angle_beta                 98.217(3)
_cell_angle_gamma                94.766(3)
_cell_formula_units_Z            2
_cell_length_a                   10.8837(15)
_cell_length_b                   11.9141(16)
_cell_length_c                   13.6025(18)
_cell_measurement_temperature    293(2)
_cell_volume                     1704.8(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.836
_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_sg_symbol_H-M      'P 1'
_cod_database_code               4061269
Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity
Ionkin, Alex S.; Marshall, William J.; Organometallics 23 (2004) 6031–6041; doi:10.1021/om049444k

data_4061270
_publ_section_title
;
 Rare Organometallic Complex of Divalent, Four-Coordinate Iridium:
 Synthesis, Structural Characterization, and First Insights into Reactivity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6031
_journal_page_last               6041
_journal_paper_doi               10.1021/om049444k
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C12.5 H12.5 F6 Ir0.5 O1.5 P'
_chemical_formula_weight         427.80
_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                83.273(7)
_cell_angle_beta                 70.193(7)
_cell_angle_gamma                64.639(7)
_cell_formula_units_Z            2
_cell_length_a                   9.043(4)
_cell_length_b                   9.584(4)
_cell_length_c                   10.967(5)
_cell_measurement_temperature    173(2)
_cell_volume                     807.6(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.759
_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        'C12.50 H12.50 F6 Ir0.50 O1.50 P'
_cod_database_code               4061270