LMucko/crystallography-open-database huggingface dataset:
Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs Ligand Backbone β-Abstraction Paths
Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev; Organometallics 23 (2004) 1880–1890; doi:10.1021/om0499761

data_4063182
_publ_section_title
;
Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: 
Investigation of \a-Abstraction vs Ligand Backbone \b-Abstraction Paths
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1880
_journal_page_last               1890
_journal_paper_doi               10.1021/om0499761
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C41 H49 Cl4 N2 O2.5 Ta'
_chemical_formula_weight         932.57
_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                114.9990(6)
_cell_angle_beta                 98.7160(6)
_cell_angle_gamma                94.7980(12)
_cell_formula_units_Z            2
_cell_length_a                   11.6050(2)
_cell_length_b                   13.2170(2)
_cell_length_c                   14.6460(3)
_cell_measurement_temperature    110(2)
_cell_volume                     1984.95(6)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.560
_cod_database_code               4063182
Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs Ligand Backbone β-Abstraction Paths
Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev; Organometallics 23 (2004) 1880–1890; doi:10.1021/om0499761

data_4063183
_publ_section_title
;
Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: 
Investigation of \a-Abstraction vs Ligand Backbone \b-Abstraction Paths
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1880
_journal_page_last               1890
_journal_paper_doi               10.1021/om0499761
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C42 H48 N O2 Ta'
_chemical_formula_weight         779.76
_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                 94.7900(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.1480(3)
_cell_length_b                   12.5780(3)
_cell_length_c                   23.2350(7)
_cell_measurement_temperature    110(2)
_cell_volume                     3537.85(16)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.464
_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      'P 21/c'
_cod_database_code               4063183
Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs Ligand Backbone β-Abstraction Paths
Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev; Organometallics 23 (2004) 1880–1890; doi:10.1021/om0499761

data_4063184
_publ_section_title
;
Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: 
Investigation of \a-Abstraction vs Ligand Backbone \b-Abstraction Paths
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1880
_journal_page_last               1890
_journal_paper_doi               10.1021/om0499761
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C36 H70 N2 O2 Ta'
_chemical_formula_weight         743.89
_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                90.4420(13)
_cell_angle_beta                 98.5170(15)
_cell_angle_gamma                94.348(3)
_cell_formula_units_Z            2
_cell_length_a                   8.2910(3)
_cell_length_b                   13.0580(4)
_cell_length_c                   17.2200(7)
_cell_measurement_temperature    110(2)
_cell_volume                     1838.10(11)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.344
_cod_database_code               4063184
Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs Ligand Backbone β-Abstraction Paths
Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev; Organometallics 23 (2004) 1880–1890; doi:10.1021/om0499761

data_4063185
_publ_section_title
;
Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: 
Investigation of \a-Abstraction vs Ligand Backbone \b-Abstraction Paths
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1880
_journal_page_last               1890
_journal_paper_doi               10.1021/om0499761
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C39 H39 Cl4 N2 O2 Ta'
_chemical_formula_weight         890.47
_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                 92.1360(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.96000(10)
_cell_length_b                   14.1730(2)
_cell_length_c                   23.5480(3)
_cell_measurement_temperature    106(2)
_cell_volume                     3655.31(8)
_diffrn_ambient_temperature      106(2)
_exptl_crystal_density_diffrn    1.618
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4063185
Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs. Ligand-β-Abstraction Paths
Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev; Organometallics 23 (2004) 1880–1890; doi:10.1021/om0499761

data_4063186
_publ_section_title
;
Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands:
Investigation of \a-Abstraction vs. Ligand-\b-Abstraction Paths
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1880
_journal_page_last               1890
_journal_paper_doi               10.1021/om0499761
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C37 H42 N O3.5 Ta'
_chemical_formula_weight         737.67
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.6760(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.8330(3)
_cell_length_b                   10.6670(2)
_cell_length_c                   19.8790(4)
_cell_measurement_temperature    110(2)
_cell_volume                     3299.26(11)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.485
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               4063186
Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs Ligand Backbone β-Abstraction Paths
Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev; Organometallics 23 (2004) 1880–1890; doi:10.1021/om0499761

data_4063187
_publ_section_title
;
Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: 
Investigation of \a-Abstraction vs Ligand Backbone \b-Abstraction Paths
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1880
_journal_page_last               1890
_journal_paper_doi               10.1021/om0499761
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C47 H67 N2 O2 Ta'
_chemical_formula_weight         872.98
_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                 94.0110(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.0190(2)
_cell_length_b                   17.1160(3)
_cell_length_c                   17.7430(3)
_cell_measurement_temperature    110(2)
_cell_volume                     4246.99(12)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.365
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4063187
A Trinuclear EMAC-type Molecular Wire with Redox Active Ferrocenylacetylide "Alligator Clips" Attached
John F. Berry; F. Albert Cotton; Carlos A. Murillo; Organometallics  (2004) –; doi:10.1021/om049979d

data_4063188
_publ_section_title
;
A Trinuclear EMAC-type Molecular Wire with Redox Active
Ferrocenylacetylide "Alligator Clips" Attached
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049979d
_journal_year                    2004
_chemical_formula_moiety         'Co3(C10H8N3)4(C7H4FeC5H5)2, (CH3CN)0.5'
_chemical_formula_sum            'C65 H51.5 Co3 Fe2 N12.5'
_chemical_formula_weight         1296.18
_chemical_name_common            'Co3(dpa)4(fac)2 . 0.5acetonitrile'
_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                 99.355(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.514(3)
_cell_length_b                   15.102(3)
_cell_length_c                   21.434(4)
_cell_measurement_temperature    293(2)
_cell_volume                     5594.0(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.539
_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_original_formula_sum        'C65 H51.50 Co3 Fe2 N12.50'
_cod_database_code               4063188
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0438821

data_4100000
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0438821
_journal_year                    2005
_chemical_formula_sum            'C30 H36 N2 Ni O3'
_chemical_formula_weight         531.32
_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                 104.6870(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.0757(10)
_cell_length_b                   16.0970(9)
_cell_length_c                   20.6888(11)
_cell_measurement_temperature    150(2)
_cell_volume                     5823.0(6)
_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               4100000
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0438821

data_4100001
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0438821
_journal_year                    2005
_chemical_formula_sum            'C14 H25 Cl N2 Ni'
_chemical_formula_weight         315.52
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0032(12)
_cell_length_b                   9.6385(11)
_cell_length_c                   14.3586(16)
_cell_measurement_temperature    150(2)
_cell_volume                     1522.8(3)
_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               4100001
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0438821

data_4100002
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0438821
_journal_year                    2005
_chemical_formula_sum            'C14 H25 Br N2 Ni'
_chemical_formula_weight         359.98
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2997(12)
_cell_length_b                   9.7379(11)
_cell_length_c                   14.7603(16)
_cell_measurement_temperature    150(2)
_cell_volume                     1624.2(3)
_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               4100002
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0438821

data_4100003
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0438821
_journal_year                    2005
_chemical_formula_sum            'C24 H24 N2 Ni O3'
_chemical_formula_weight         447.16
_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                78.551(4)
_cell_angle_beta                 88.502(4)
_cell_angle_gamma                69.455(4)
_cell_formula_units_Z            2
_cell_length_a                   7.7145(16)
_cell_length_b                   8.3682(18)
_cell_length_c                   19.411(4)
_cell_measurement_temperature    150(2)
_cell_volume                     1148.8(4)
_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               4100003
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0438821

data_4100004
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0438821
_journal_year                    2005
_chemical_formula_sum            'C24 H26 N2 Ni O3'
_chemical_formula_weight         449.18
_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                 90.4760(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   18.2750(9)
_cell_length_b                   16.3870(8)
_cell_length_c                   31.1987(15)
_cell_measurement_temperature    150(2)
_cell_volume                     9342.8(8)
_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      P2(1)/n
_cod_database_code               4100004
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0438821

data_4100005
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0438821
_journal_year                    2005
_chemical_formula_sum            'C30 H38 N2 Ni O3'
_chemical_formula_weight         533.33
_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                 105.736(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9400(7)
_cell_length_b                   20.5564(16)
_cell_length_c                   16.0631(12)
_cell_measurement_temperature    150(2)
_cell_volume                     2841.3(4)
_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               4100005
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0460458

data_4100006
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0460458
_journal_year                    2005
_chemical_formula_moiety         'C86 H86 Fe2 N8 O10 P2 '
_chemical_formula_sum            'C86 H86 Fe2 N8 O10 P2'
_chemical_formula_weight         1565.31
_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
_cell_angle_beta                 91.952(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.649(3)
_cell_length_b                   25.077(5)
_cell_length_c                   22.742(4)
_cell_measurement_temperature    193.2
_cell_volume                     7779(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C86 H86 Fe2 N8 O10 P2 '
_cod_database_code               4100006
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0460458

data_4100007
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0460458
_journal_year                    2005
_chemical_formula_moiety         'C97 H98 F3 Fe2 N8 O13.50 P2 '
_chemical_formula_sum            'C97 H98 F3 Fe2 N8 O13.5 P2'
_chemical_formula_weight         1822.52
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.723(8)
_cell_angle_beta                 100.09(1)
_cell_angle_gamma                117.146(6)
_cell_formula_units_Z            2
_cell_length_a                   14.084(1)
_cell_length_b                   15.380(2)
_cell_length_c                   24.082(2)
_cell_measurement_temperature    193.2
_cell_volume                     4431.4(9)
_cod_original_formula_sum        'C97 H98 F3 Fe2 N8 O13.50 P2 '
_cod_database_code               4100007
Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes
Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja045090c

data_4100008
_publ_section_title
;
Rhodium-Boryl Complexes Involved in the Catalytic,
Terminal Functionalization of Alkanes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja045090c
_journal_year                    2005
_chemical_formula_sum            'C22 H41 B2 O4 Rh'
_chemical_formula_weight         494.08
_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                105.37(3)
_cell_angle_beta                 96.51(3)
_cell_angle_gamma                91.82(3)
_cell_formula_units_Z            4
_cell_length_a                   7.3844(15)
_cell_length_b                   15.640(3)
_cell_length_c                   22.541(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2488.8(9)
_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               4100008
Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes
Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja045090c

data_4100009
_publ_section_title
;
Rhodium-Boryl Complexes Involved in the Catalytic,
Terminal Functionalization of Alkanes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja045090c
_journal_year                    2005
_chemical_formula_sum            'C28 H52 B3 O6 Rh'
_chemical_formula_weight         620.04
_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                73.30(3)
_cell_angle_beta                 89.38(3)
_cell_angle_gamma                78.95(3)
_cell_formula_units_Z            4
_cell_length_a                   13.798(3)
_cell_length_b                   14.718(3)
_cell_length_c                   17.139(3)
_cell_measurement_temperature    113(2)
_cell_volume                     3268.1(11)
_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               4100009