LMucko/crystallography-open-database huggingface dataset:
Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds
Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip; Organometallics 25 (2006) 1167–1187; doi:10.1021/om050784v

data_4060848
_publ_section_title
;
 Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with
 CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1167
_journal_page_last               1187
_journal_paper_doi               10.1021/om050784v
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         ' C35 H50 N4 O1 Ti1 '
_chemical_formula_sum            'C35 H50 N4 O Ti'
_chemical_formula_weight         590.71
_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                 93.316(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.0867(9)
_cell_length_b                   9.8270(4)
_cell_length_c                   17.7637(7)
_cell_measurement_temperature    150
_cell_volume                     3326.3(2)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.18
_cod_duplicate_entry             4074672
_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        ' C35 H50 N4 O1 Ti1 '
_cod_database_code               4060848
Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds
Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip; Organometallics 25 (2006) 1167–1187; doi:10.1021/om050784v

data_4060849
_publ_section_title
;
 Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with
 CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1167
_journal_page_last               1187
_journal_paper_doi               10.1021/om050784v
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         ' C34 H47 N4 O1 Ti1 '
_chemical_formula_sum            'C34 H47 N4 O Ti'
_chemical_formula_weight         575.68
_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                82.229(1)
_cell_angle_beta                 78.344(1)
_cell_angle_gamma                84.112(1)
_cell_formula_units_Z            2
_cell_length_a                   9.5758(3)
_cell_length_b                   9.9197(3)
_cell_length_c                   17.2651(6)
_cell_measurement_temperature    150
_cell_volume                     1586.63(9)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.20
_cod_duplicate_entry             4074673
_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        ' C34 H47 N4 O1 Ti1 '
_cod_database_code               4060849
1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling of Aryl Chlorides
Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy; Organometallics 25 (2006) 1199–1205; doi:10.1021/om050791j

data_4060850
_publ_section_title
;
 1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling
 of Aryl Chlorides
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1199
_journal_page_last               1205
_journal_paper_doi               10.1021/om050791j
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C38 H41 Cl2 F5 Fe I O2 P Pd'
_chemical_formula_weight         1015.73
_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                 98.876(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9657(8)
_cell_length_b                   16.0604(11)
_cell_length_c                   20.2335(14)
_cell_measurement_temperature    223(2)
_cell_volume                     3841.8(5)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.756
_cod_duplicate_entry             4074682
_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               4060850
1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling of Aryl Chlorides
Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy; Organometallics 25 (2006) 1199–1205; doi:10.1021/om050791j

data_4060851
_publ_section_title
;
 1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling
 of Aryl Chlorides
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1199
_journal_page_last               1205
_journal_paper_doi               10.1021/om050791j
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C64 H74 Cl4 F10 Fe2 I2 O4 P2 Pd2'
_chemical_formula_weight         1879.27
_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                90.4090(10)
_cell_angle_beta                 95.3170(10)
_cell_angle_gamma                94.3280(10)
_cell_formula_units_Z            1
_cell_length_a                   10.6130(5)
_cell_length_b                   12.0109(6)
_cell_length_c                   13.3195(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1685.56(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.851
_cod_duplicate_entry             4074683
_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               4060851
1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling of Aryl Chlorides
Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy; Organometallics 25 (2006) 1199–1205; doi:10.1021/om050791j

data_4060852
_publ_section_title
;
 1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling
 of Aryl Chlorides
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1199
_journal_page_last               1205
_journal_paper_doi               10.1021/om050791j
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C74 H92 F5 Fe2 I O4 P2 Pd'
_chemical_formula_weight         1547.42
_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                75.9770(10)
_cell_angle_beta                 76.1800(10)
_cell_angle_gamma                79.4350(10)
_cell_formula_units_Z            2
_cell_length_a                   11.4379(4)
_cell_length_b                   17.5926(6)
_cell_length_c                   18.4657(7)
_cell_measurement_temperature    223(2)
_cell_volume                     3469.4(2)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.481
_cod_duplicate_entry             4074684
_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               4060852
1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling of Aryl Chlorides
Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy; Organometallics 25 (2006) 1199–1205; doi:10.1021/om050791j

data_4060853
_publ_section_title
;
 1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling
 of Aryl Chlorides
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1199
_journal_page_last               1205
_journal_paper_doi               10.1021/om050791j
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C56 H70 F5 Fe2 I O4 P2 Pd'
_chemical_formula_weight         1309.06
_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                 114.753(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.9960(15)
_cell_length_b                   19.5414(15)
_cell_length_c                   17.0394(15)
_cell_measurement_temperature    243(2)
_cell_volume                     5441.6(8)
_diffrn_ambient_temperature      243(2)
_exptl_crystal_density_diffrn    1.598
_cod_duplicate_entry             4074685
_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/c'
_cod_database_code               4060853
Formation of PPh2C6F5through Phosphido Platinum and/or Palladium(III) Intermediates
Ara, Irene; Chaouche, Naima; Forniés, Juan; Fortuño, Consuelo; Kribii, Abdelaziz; Tsipis, Athanassios C.; Organometallics 25 (2006) 1084–1091; doi:10.1021/om0508029

data_4060854
_publ_section_title
;
 Formation of PPh2C6F5through Phosphido Platinum and/or Palladium(III)
 Intermediates
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1084
_journal_page_last               1091
_journal_paper_doi               10.1021/om0508029
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C38 H22 Cl6 F10 I2 P2 Pt2'
_chemical_formula_weight         1587.18
_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                85.143(2)
_cell_angle_beta                 80.584(2)
_cell_angle_gamma                74.207(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2917(12)
_cell_length_b                   14.3188(18)
_cell_length_c                   17.576(2)
_cell_measurement_temperature    100(2)
_cell_volume                     2217.9(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.377
_cod_duplicate_entry             4074693
_cod_database_code               4060854
Formation of PPh2C6F5through Phosphido Platinum and/or Palladium(III) Intermediates
Ara, Irene; Chaouche, Naima; Forniés, Juan; Fortuño, Consuelo; Kribii, Abdelaziz; Tsipis, Athanassios C.; Organometallics 25 (2006) 1084–1091; doi:10.1021/om0508029

data_4060855
_publ_section_title
;
 Formation of PPh2C6F5through Phosphido Platinum and/or Palladium(III)
 Intermediates
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1084
_journal_page_last               1091
_journal_paper_doi               10.1021/om0508029
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C38 H24 Cl4 F10 I2 P2 Pt2'
_chemical_formula_weight         1518.29
_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                76.6210(10)
_cell_angle_beta                 78.2670(10)
_cell_angle_gamma                81.4520(10)
_cell_formula_units_Z            2
_cell_length_a                   11.0208(7)
_cell_length_b                   11.7041(7)
_cell_length_c                   17.0947(6)
_cell_measurement_temperature    100(2)
_cell_volume                     2088.4(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.414
_cod_duplicate_entry             4074694
_cod_database_code               4060855
Carbon‒Hydrogen Bond Activation with a Cyclometalated Zirconocene Hydride: Mechanistic Differences between Arene and Alkane Reductive Elimination
Bernskoetter, Wesley H.; Pool, Jaime A.; Lobkovsky, Emil; Chirik, Paul J.; Organometallics 25 (2006) 1092–1100; doi:10.1021/om0508379

data_4060856
_publ_section_title
;
 Carbon--Hydrogen Bond Activation with a Cyclometalated Zirconocene
 Hydride: Mechanistic Differences between Arene and Alkane
 Reductive Elimination
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1092
_journal_page_last               1100
_journal_paper_doi               10.1021/om0508379
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C22 H42 Si4 Zr'
_chemical_formula_weight         510.14
_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                 91.951(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.4467(16)
_cell_length_b                   13.9013(16)
_cell_length_c                   32.399(4)
_cell_measurement_temperature    173(2)
_cell_volume                     5602.6(12)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.210
_cod_duplicate_entry             4074726
_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               4060856
Carbon‒Hydrogen Bond Activation with a Cyclometalated Zirconocene Hydride: Mechanistic Differences between Arene and Alkane Reductive Elimination
Bernskoetter, Wesley H.; Pool, Jaime A.; Lobkovsky, Emil; Chirik, Paul J.; Organometallics 25 (2006) 1092–1100; doi:10.1021/om0508379

data_4060857
_publ_section_title
;
 Carbon--Hydrogen Bond Activation with a Cyclometalated Zirconocene
 Hydride: Mechanistic Differences between Arene and Alkane
 Reductive Elimination
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1092
_journal_page_last               1100
_journal_paper_doi               10.1021/om0508379
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C22 H40 Si4 Zr'
_chemical_formula_weight         508.12
_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                 108.594(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.984(7)
_cell_length_b                   9.152(2)
_cell_length_c                   20.813(5)
_cell_measurement_temperature    173(2)
_cell_volume                     5413(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.247
_cod_duplicate_entry             4074727
_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/c'
_cod_database_code               4060857
Carbon‒Hydrogen Bond Activation with a Cyclometalated Zirconocene Hydride: Mechanistic Differences between Arene and Alkane Reductive Elimination
Bernskoetter, Wesley H.; Pool, Jaime A.; Lobkovsky, Emil; Chirik, Paul J.; Organometallics 25 (2006) 1092–1100; doi:10.1021/om0508379

data_4060858
_publ_section_title
;
 Carbon--Hydrogen Bond Activation with a Cyclometalated Zirconocene
 Hydride: Mechanistic Differences between Arene and Alkane
 Reductive Elimination
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1092
_journal_page_last               1100
_journal_paper_doi               10.1021/om0508379
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C22 H43 O0.5 Si4 Zr'
_chemical_formula_weight         519.14
_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                 99.528(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9916(7)
_cell_length_b                   15.6633(9)
_cell_length_c                   15.3898(8)
_cell_measurement_temperature    173(2)
_cell_volume                     2850.8(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.210
_cod_duplicate_entry             4074728
_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        'C22 H43 O0.50 Si4 Zr'
_cod_database_code               4060858
Carbon‒Hydrogen Bond Activation with a Cyclometalated Zirconocene Hydride: Mechanistic Differences between Arene and Alkane Reductive Elimination
Bernskoetter, Wesley H.; Pool, Jaime A.; Lobkovsky, Emil; Chirik, Paul J.; Organometallics 25 (2006) 1092–1100; doi:10.1021/om0508379

data_4060859
_publ_section_title
;
 Carbon--Hydrogen Bond Activation with a Cyclometalated Zirconocene
 Hydride: Mechanistic Differences between Arene and Alkane
 Reductive Elimination
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1092
_journal_page_last               1100
_journal_paper_doi               10.1021/om0508379
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C44 H86 O Si8 Zr2'
_chemical_formula_sum            'C22 H43 O0.5 Si4 Zr'
_chemical_formula_weight         519.14
_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                 99.467(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9803(4)
_cell_length_b                   15.6603(5)
_cell_length_c                   15.3767(6)
_cell_measurement_temperature    173(2)
_cell_volume                     2845.61(17)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.212
_cod_duplicate_entry             4074729
_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        'C22 H43 O0.50 Si4 Zr'
_cod_database_code               4060859
[(tBu2PCH2SiMe2)2N]RuMe2: Synthesis and Reactivity of an Unsaturated Ruthenium Dialkyl Radical Species
Ingleson, Michael J.; Pink, Maren; Huffman, John C.; Fan, Hongjun; Caulton, Kenneth G.; Organometallics 25 (2006) 1112–1119; doi:10.1021/om0508536

data_4060860
_publ_section_title
;
 [(tBu2PCH2SiMe2)2N]RuMe2: Synthesis and Reactivity of an
 Unsaturated Ruthenium Dialkyl Radical Species
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1112
_journal_page_last               1119
_journal_paper_doi               10.1021/om0508536
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C24 H58 N P2 Ru Si2'
_chemical_formula_sum            'C24 H58 N P2 Ru Si2'
_chemical_formula_weight         579.90
_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                   11.8489(12)
_cell_length_b                   15.9777(16)
_cell_length_c                   16.0975(16)
_cell_measurement_temperature    120(2)
_cell_volume                     3047.5(5)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.264
_cod_duplicate_entry             4074748
_cod_depositor_comments
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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 
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_cod_database_code               4060860