LMucko/crystallography-open-database huggingface dataset:
Peter G Taylor; David J Parker; Manuel Pourny; Peter N Horton; Michael B Hursthouse; Alan R Bassindale; Organometallics  (2004) –; doi:10.1021/om049928g

data_4063148
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049928g
_journal_year                    2004
_chemical_formula_sum            'C32 H60 F N O12 Si8'
_chemical_formula_weight         894.53
_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                 96.9900(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.15090(10)
_cell_length_b                   18.2072(2)
_cell_length_c                   20.6679(2)
_cell_measurement_temperature    120(2)
_cell_volume                     4538.45(8)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.309
_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               4063148
Peter G Taylor; David J Parker; Manuel Pourny; Peter N Horton; Michael B Hursthouse; Alan R Bassindale; Organometallics  (2004) –; doi:10.1021/om049928g

data_4063149
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049928g
_journal_year                    2004
_chemical_formula_sum            'C72 H92 F N O12 Si8'
_chemical_formula_weight         1407.19
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.64760(10)
_cell_length_b                   12.64760(10)
_cell_length_c                   22.6513(6)
_cell_measurement_temperature    120(2)
_cell_volume                     3623.34(10)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.290
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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               4063149
; Organometallics  (2004) –; doi:10.1021/om0499299

data_4063150
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499299
_journal_year                    2004
_chemical_formula_sum            'C15 H31 N3 O3 Si2'
_chemical_formula_weight         357.61
_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                 115.665(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5899(13)
_cell_length_b                   23.745(3)
_cell_length_c                   9.6281(13)
_cell_measurement_temperature    93(2)
_cell_volume                     1976.1(5)
_diffrn_ambient_temperature      366(2)
_exptl_crystal_density_diffrn    1.202
_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               4063150
; Organometallics  (2004) –; doi:10.1021/om0499299

data_4063151
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499299
_journal_year                    2004
_chemical_formula_sum            'C18 H35 N3 O4 Si2'
_chemical_formula_weight         413.67
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.9806(17)
_cell_length_b                   15.5986(19)
_cell_length_c                   22.644(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4938.1(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.113
_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               4063151
; Organometallics  (2004) –; doi:10.1021/om0499299

data_4063152
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499299
_journal_year                    2004
_chemical_formula_moiety         'C40 H30 N2 O4 Si3'
_chemical_formula_sum            'C52 H66 N8 O6 Si4'
_chemical_formula_weight         1011.49
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 112.53(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.5541(17)
_cell_length_b                   34.531(7)
_cell_length_c                   9.798(2)
_cell_measurement_temperature    150(2)
_cell_volume                     2673.2(9)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.257
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4063152
Preparation, Structures, and Theoretical Calculations of Novel Silacalixarene Derivatives: Silacalix[4]quinone and Silacalix[4]hydroquinone Octamethyl Ether
Tsutsui, Shinobu; Sakamoto, Kenkichi; Organometallics  (2004) –; doi:10.1021/om0499310

data_4063153
_publ_section_title
;
Preparation, Structures, and Theoretical Calculations of
Novel Silacalixarene Derivatives: Silacalix[4]quinone and
Silacalix[4]hydroquinone Octamethyl Ether
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499310
_journal_year                    2004
_chemical_formula_sum            'C88 H94 O16 Si8'
_chemical_formula_weight         1632.35
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 122.575(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   24.866(4)
_cell_length_b                   13.099(2)
_cell_length_c                   16.060(3)
_cell_measurement_temperature    123(2)
_cell_volume                     4407.9(13)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.230
_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/m'
_cod_database_code               4063153
Preparation, Structures, and Theoretical Calculations of Novel Silacalixarene Derivatives: Silacalix[4]quinone and Silacalix[4]hydroquinone Octamethyl Ether
Tsutsui, Shinobu; Sakamoto, Kenkichi; Organometallics  (2004) –; doi:10.1021/om0499310

data_4063154
_publ_section_title
;
Preparation, Structures, and Theoretical Calculations of
Novel Silacalixarene Derivatives: Silacalix[4]quinone and
Silacalix[4]hydroquinone Octamethyl Ether
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499310
_journal_year                    2004
_chemical_formula_sum            'C40 H56 O8 Si4'
_chemical_formula_weight         777.21
_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                 103.093(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.569(11)
_cell_length_b                   16.408(16)
_cell_length_c                   23.63(2)
_cell_measurement_temperature    120(2)
_cell_volume                     4369(8)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.182
_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               4063154
Preparation, Structures, and Theoretical Calculations of Novel Silacalixarene Derivatives: Silacalix[4]quinone and Silacalix[4]hydroquinone Octamethyl Ether
Tsutsui, Shinobu; Sakamoto, Kenkichi; Organometallics  (2004) –; doi:10.1021/om0499310

data_4063155
_publ_section_title
;
Preparation, Structures, and Theoretical Calculations of
Novel Silacalixarene Derivatives: Silacalix[4]quinone and
Silacalix[4]hydroquinone Octamethyl Ether
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499310
_journal_year                    2004
_chemical_formula_sum            'C14 H12 O4 Si'
_chemical_formula_weight         272.33
_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                 99.913(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.7860(9)
_cell_length_b                   11.7022(15)
_cell_length_c                   17.048(2)
_cell_measurement_temperature    123(2)
_cell_volume                     1333.6(3)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.356
_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               4063155
Meetsma, Auke; Organometallics  (2004) –; doi:

data_4063156
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_moiety         'C22 H55 N4 Si2 Y'
_chemical_formula_sum            'C22 H55 N4 Si2 Y'
_chemical_formula_weight         520.79
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.185(1)
_cell_angle_beta                 98.943(1)
_cell_angle_gamma                111.086(1)
_cell_formula_units_Z            2
_cell_length_a                   9.5799(4)
_cell_length_b                   9.8987(5)
_cell_length_c                   17.4468(8)
_cell_measurement_temperature    90
_cell_volume                     1482.62(12)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.167
_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               4063156
Meetsma, Auke; Organometallics  (2004) –; doi:

data_4063157
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_moiety         'C23 H48 N5 Si Y'
_chemical_formula_sum            'C23 H48 N5 Si Y'
_chemical_formula_weight         511.66
_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
_cell_angle_beta                 91.167(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.7891(6)
_cell_length_b                   9.4573(4)
_cell_length_c                   19.2445(8)
_cell_measurement_temperature    95
_cell_volume                     2691.07(19)
_diffrn_ambient_temperature      95(2)
_exptl_crystal_density_diffrn    1.263
_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               4063157
; Organometallics  (2004) –; doi:10.1021/om049942t

data_4063158
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049942t
_journal_year                    2004
_chemical_formula_sum            'C34 H39 Mo N3 Si2'
_chemical_formula_weight         641.80
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   25.544(1)
_cell_length_b                   18.7420(8)
_cell_length_c                   27.641(1)
_cell_measurement_temperature    193(2)
_cell_volume                     13233.4(9)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.289
_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               4063158
Sequential Insertion of Formaldehyde and Carbon Monoxide into a Sulfide Bridged Pd-Ge Bond and Reductive Elimination to Give a Unique Organic Heterocycle
Zuzanna T. Cygan; Jeff W. Kampf; Mark M. Banaszak Holl; Organometallics  (2004) –; doi:10.1021/om049944d

data_4063159
_publ_section_title
;
 Sequential  Insertion of Formaldehyde and Carbon Monoxide into a
Sulfide Bridged Pd-Ge Bond and Reductive Elimination to Give a
Unique Organic Heterocycle
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049944d
_journal_year                    2004
_chemical_formula_moiety         '2(C39 H62 Ge N2 O P2 Pd S Si4)'
_chemical_formula_sum            'C39 H62 Ge N2 O P2 Pd S Si4'
_chemical_formula_weight         960.26
_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                68.090(4)
_cell_angle_beta                 89.880(5)
_cell_angle_gamma                88.499(5)
_cell_formula_units_Z            4
_cell_length_a                   14.115(2)
_cell_length_b                   17.175(2)
_cell_length_c                   21.180(3)
_cell_measurement_temperature    118(2)
_cell_volume                     4761.9(11)
_diffrn_ambient_temperature      118(2)
_exptl_crystal_density_diffrn    1.339
_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               4063159
L. E. Harrington; L. S. Cahill; M. J. McGlinchey; Organometallics  (2004) –; doi:10.1021/om0499456

data_4063160
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499456
_journal_year                    2004
_chemical_formula_sum            'C23 H16'
_chemical_formula_weight         292.36
_chemical_melting_point          416.6(15)
_chemical_name_common            '9-indenyl anthracene'
_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                 97.517(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.1708(3)
_cell_length_b                   7.4691(2)
_cell_length_c                   25.9547(8)
_cell_measurement_temperature    143(2)
_cell_volume                     1570.36(9)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.237
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '142-145C' was changed to '416.6(15)'
- it was converted from degrees Celsius(C) to Kelvins(K), the average
value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4063160
L. E. Harrington; L. S. Cahill; M. J. McGlinchey; Organometallics  (2004) –; doi:10.1021/om0499456

data_4063161
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499456
_journal_year                    2004
_chemical_formula_sum            'C29 H20'
_chemical_formula_weight         368.45
_chemical_melting_point          521.1(10)
_chemical_name_common            '9-indenyl triptycene'
_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                 100.711(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.4874(14)
_cell_length_b                   16.312(2)
_cell_length_c                   25.114(5)
_cell_measurement_temperature    173(2)
_cell_volume                     3818.9(10)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.282
_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 

The following automatic conversions were performed:

'_chemical_melting_point' value '247-249C' was changed to '521.1(10)'
- it was converted from degrees Celsius(C) to Kelvins(K), the average
value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4063161
L. E. Harrington; L. S. Cahill; M. J. McGlinchey; Organometallics  (2004) –; doi:10.1021/om0499456

data_4063162
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0499456
_journal_year                    2004
_chemical_formula_sum            'C38 H26 Cr O3'
_chemical_formula_weight         582.59
_chemical_melting_point          403.1(10)
_chemical_name_common            '9-indenyl triptycene chromium carbonyl'
_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                107.468(6)
_cell_angle_beta                 95.565(7)
_cell_angle_gamma                93.490(6)
_cell_formula_units_Z            2
_cell_length_a                   9.242(3)
_cell_length_b                   11.356(3)
_cell_length_c                   14.531(4)
_cell_measurement_temperature    173(2)
_cell_volume                     1441.2(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.342
_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 

The following automatic conversions were performed:

'_chemical_melting_point' value '129-131C' was changed to '403.1(10)'
- it was converted from degrees Celsius(C) to Kelvins(K), the average
value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 1'
_cod_database_code               4063162
C–H Activation and C–C Coupling Reactions in 2-Vinylpyridine Cationic Complexes of Iridium
Navarro, Janeth; Sola, Eduardo; Martín, Marta; Dobrinovitch, Isabel T.; Lahoz, Fernando J.; Oro, Luis A.; Organometallics 23 (2004) 1908–1917; doi:10.1021/om049953m

data_4063163
_publ_section_title
;
 C--H Activation and C--C Coupling Reactions in 2-Vinylpyridine Cationic
 Complexes of Iridium
;
_journal_coden_ASTM              ORGND7
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1908
_journal_page_last               1917
_journal_paper_doi               10.1021/om049953m
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C36 H62 Ir2 N4 P2, 2(B F4), C3 H6 O'
_chemical_formula_sum            'C39 H68 B2 F8 Ir2 N4 O P2'
_chemical_formula_weight         1228.93
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.521(2)
_cell_angle_beta                 83.208(2)
_cell_angle_gamma                78.718(2)
_cell_formula_units_Z            2
_cell_length_a                   10.7186(13)
_cell_length_b                   15.0943(19)
_cell_length_c                   15.4843(19)
_cell_measurement_temperature    173(2)
_cell_volume                     2338.6(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.745
_cod_database_code               4063163