LMucko/crystallography-open-database huggingface dataset:
Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes
Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka; Organometallics 25 (2006) 1359–1367; doi:10.1021/om050897e

data_4060874
_publ_section_title
;
 Synthesis of a Library of Iridium-Containing Dinuclear Complexes with
 Bridging PNNN and PNNP Ligands (BL), [LM(\m-BL)M'L']BF4.
 2. Preparation, Basic Coordination Properties, and Reactivity of the
 Carbonyl Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1359
_journal_page_last               1367
_journal_paper_doi               10.1021/om050897e
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C27 H24 B Cl2 F4 Ir N3 O2 P Pd'
_chemical_formula_weight         909.81
_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                 96.01(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.239(7)
_cell_length_b                   9.09(1)
_cell_length_c                   36.77(2)
_cell_measurement_temperature    298
_cell_volume                     3069(4)
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    1.968
_cod_duplicate_entry             4074803
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C27 H24 B Cl2 F4 Ir N3 O2 P Pd '
_cod_database_code               4060874
Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes
Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka; Organometallics 25 (2006) 1359–1367; doi:10.1021/om050897e

data_4060875
_publ_section_title
;
 Synthesis of a Library of Iridium-Containing Dinuclear Complexes with
 Bridging PNNN and PNNP Ligands (BL), [LM(\m-BL)M'L']BF4.
 2. Preparation, Basic Coordination Properties, and Reactivity of the
 Carbonyl Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1359
_journal_page_last               1367
_journal_paper_doi               10.1021/om050897e
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C52 H48 B2 Cl12 F8 Ir2 N2 O4 P2 '
_chemical_formula_sum            'C52 H48 B2 Cl12 F8 Ir2 N2 O4 P2'
_chemical_formula_weight         1810.39
_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                105.27(2)
_cell_angle_beta                 106.60(2)
_cell_angle_gamma                98.09(2)
_cell_formula_units_Z            2
_cell_length_a                   13.235(7)
_cell_length_b                   14.245(9)
_cell_length_c                   19.86(1)
_cell_measurement_temperature    213
_cell_volume                     3366(3)
_diffrn_ambient_temperature      213
_exptl_crystal_density_diffrn    1.786
_cod_duplicate_entry             4074804
_cod_original_formula_sum        'C52 H48 B2 Cl12 F8 Ir2 N2 O4 P2 '
_cod_database_code               4060875
Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes
Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka; Organometallics 25 (2006) 1359–1367; doi:10.1021/om050897e

data_4060876
_publ_section_title
;
 Synthesis of a Library of Iridium-Containing Dinuclear Complexes with
 Bridging PNNN and PNNP Ligands (BL), [LM(\m-BL)M'L']BF4.
 2. Preparation, Basic Coordination Properties, and Reactivity of the
 Carbonyl Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1359
_journal_page_last               1367
_journal_paper_doi               10.1021/om050897e
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C58 H50 Ir N2 O2 P2 Rh '
_chemical_formula_sum            'C58 H50 Ir N2 O2 P2 Rh'
_chemical_formula_weight         1164.12
_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                63.10(2)
_cell_angle_beta                 89.46(3)
_cell_angle_gamma                86.39(3)
_cell_formula_units_Z            2
_cell_length_a                   12.835(9)
_cell_length_b                   14.471(8)
_cell_length_c                   15.382(8)
_cell_measurement_temperature    213
_cell_volume                     2542(2)
_diffrn_ambient_temperature      213
_exptl_crystal_density_diffrn    1.521
_cod_duplicate_entry             4074805
_cod_original_formula_sum        'C58 H50 Ir N2 O2 P2 Rh '
_cod_database_code               4060876
Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes
Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka; Organometallics 25 (2006) 1359–1367; doi:10.1021/om050897e

data_4060877
_publ_section_title
;
 Synthesis of a Library of Iridium-Containing Dinuclear Complexes with
 Bridging PNNN and PNNP Ligands (BL), [LM(\m-BL)M'L']BF4.
 2. Preparation, Basic Coordination Properties, and Reactivity of the
 Carbonyl Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1359
_journal_page_last               1367
_journal_paper_doi               10.1021/om050897e
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C28 H26 N3 O2 P Rh2 Si '
_chemical_formula_sum            'C28 H26 N3 O2 P Rh2 Si'
_chemical_formula_weight         701.40
_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                 102.72(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.491(8)
_cell_length_b                   11.856(3)
_cell_length_c                   17.317(10)
_cell_measurement_temperature    213
_cell_volume                     2701(2)
_diffrn_ambient_temperature      213
_exptl_crystal_density_diffrn    1.724
_cod_duplicate_entry             4074806
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C28 H26 N3 O2 P Rh2 Si '
_cod_database_code               4060877
Addition of H2 on (Sulfur, Phosphorus, Sulfur)-Pincer-Based Rhodium(I), Iridium(I), Palladium(II), and Platinum(II) Complexes: Reactivity and Regioselectivity
Doux, Marjolaine; Ricard, Louis; Le Floch, Pascal; Jean, Yves; Organometallics 25 (2006) 1101–1111; doi:10.1021/om050900u

data_4060878
_publ_section_title
;
 Addition of H2 on (Sulfur, Phosphorus, Sulfur)-Pincer-Based Rhodium(I),
 Iridium(I), Palladium(II), and Platinum(II) Complexes: Reactivity
 and Regioselectivity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1101
_journal_page_last               1111
_journal_paper_doi               10.1021/om050900u
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C62 H55 Cl4 Ir P4 S2'
_chemical_formula_weight         1322.06
_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                85.2690(10)
_cell_angle_beta                 77.1100(10)
_cell_angle_gamma                73.9350(10)
_cell_formula_units_Z            2
_cell_length_a                   11.3410(10)
_cell_length_b                   14.4510(10)
_cell_length_c                   18.6570(10)
_cell_measurement_temperature    150.0(1)
_cell_volume                     2863.5(4)
_diffrn_ambient_temperature      150.0(1)
_exptl_crystal_density_diffrn    1.533
_cod_duplicate_entry             4074808
_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               4060878
Carbosilane Dendrimers Peripherally Functionalized with P-Stereogenic Monophosphines. Catalytic Behavior of Their Allylpalladium Complexes in the Asymmetric Hydrovinylation of Styrene
Rodríguez, Lara-Isabel; Rossell, Oriol; Seco, Miquel; Grabulosa, Arnald; Muller, Guillermo; Rocamora, Mercè; Organometallics 25 (2006) 1368–1376; doi:10.1021/om050915s

data_4060879
_publ_section_title
;
 Carbosilane Dendrimers Peripherally Functionalized with P-Stereogenic
 Monophosphines. Catalytic Behavior of Their Allylpalladium Complexes in
 the Asymmetric Hydrovinylation of Styrene
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1368
_journal_page_last               1376
_journal_paper_doi               10.1021/om050915s
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C24 H28 B P Si'
_chemical_formula_weight         386.33
_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                 107.692(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.373(2)
_cell_length_b                   9.943(2)
_cell_length_c                   11.265(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1106.9(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.159
_cod_duplicate_entry             4074819
_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'
_cod_database_code               4060879
Nickel Complexes Based on Tridentate Pyrazolyl Ligands for Highly Efficient Dimerization of Ethylene to 1-Butene
Ajellal, Noureddine; Kuhn, Maria C. A.; Boff, Andressa D. G.; Hörner, Manfredo; Thomas, Christophe M.; Carpentier, Jean-François; Casagrande, Osvaldo L.; Organometallics 25 (2006) 1213–1216; doi:10.1021/om050920w

data_4060880
_publ_section_title
;
 Nickel Complexes Based on Tridentate Pyrazolyl Ligands for Highly
 Efficient Dimerization of Ethylene to 1-Butene
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1213
_journal_page_last               1216
_journal_paper_doi               10.1021/om050920w
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C14 H25 Cl2 N5 Ni O'
_chemical_formula_weight         409.00
_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                   15.2841(4)
_cell_length_b                   13.7542(4)
_cell_length_c                   9.0503(2)
_cell_measurement_temperature    295(2)
_cell_volume                     1902.56(9)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.428
_cod_duplicate_entry             4074825
_cod_database_code               4060880
Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes
Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.; Organometallics 25 (2006) 1377–1391; doi:10.1021/om050922g

data_4060881
_publ_section_title
;
 Synthesis, Characterization, and Transition-Metal Complexes of
 3,4-Diazaphospholanes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1377
_journal_page_last               1391
_journal_paper_doi               10.1021/om050922g
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C57 H50 Cl N4 O P2 Rh'
_chemical_formula_sum            'C57 H50 Cl N4 O P2 Rh'
_chemical_formula_weight         1007.31
_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                90.00
_cell_angle_beta                 99.0950(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.6469(13)
_cell_length_b                   14.1423(11)
_cell_length_c                   20.3512(15)
_cell_measurement_temperature    100(2)
_cell_volume                     4731.0(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.414
_cod_duplicate_entry             4074826
_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               4060881
Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes
Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.; Organometallics 25 (2006) 1377–1391; doi:10.1021/om050922g

data_4060882
_publ_section_title
;
 Synthesis, Characterization, and Transition-Metal Complexes of
 3,4-Diazaphospholanes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1377
_journal_page_last               1391
_journal_paper_doi               10.1021/om050922g
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C36 H31 Cl3 F0 N2 O2 P Rh'
_chemical_formula_weight         763.86
_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                 99.573(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.860(3)
_cell_length_b                   9.3627(12)
_cell_length_c                   16.269(2)
_cell_measurement_temperature    153(2)
_cell_volume                     3283.3(7)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.545
_cod_duplicate_entry             4074827
_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               4060882
Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes
Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.; Organometallics 25 (2006) 1377–1391; doi:10.1021/om050922g

data_4060883
_publ_section_title
;
 Synthesis, Characterization, and Transition-Metal Complexes of
 3,4-Diazaphospholanes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1377
_journal_page_last               1391
_journal_paper_doi               10.1021/om050922g
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C35 H29 Cl N2 O5 P Rh'
_chemical_formula_weight         726.93
_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                 115.4430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.5786(6)
_cell_length_b                   15.7776(7)
_cell_length_c                   15.0241(6)
_cell_measurement_temperature    153(2)
_cell_volume                     3120.6(2)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.547
_cod_duplicate_entry             4074828
_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               4060883
Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes
Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.; Organometallics 25 (2006) 1377–1391; doi:10.1021/om050922g

data_4060884
_publ_section_title
;
 Synthesis, Characterization, and Transition-Metal Complexes of
 3,4-Diazaphospholanes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1377
_journal_page_last               1391
_journal_paper_doi               10.1021/om050922g
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C112 H84 Cl2 N8 O8 P4 Rh2'
_chemical_formula_weight         2070.47
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.2011(12)
_cell_length_b                   16.2011(12)
_cell_length_c                   47.347(3)
_cell_measurement_temperature    173(2)
_cell_volume                     12427.5(16)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.107
_cod_duplicate_entry             4074829
_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_original_sg_symbol_H-M      'P ? ? ?'
_cod_database_code               4060884
Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes
Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.; Organometallics 25 (2006) 1377–1391; doi:10.1021/om050922g

data_4060885
_publ_section_title
;
 Synthesis, Characterization, and Transition-Metal Complexes of
 3,4-Diazaphospholanes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1377
_journal_page_last               1391
_journal_paper_doi               10.1021/om050922g
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C105 H82 Cl12 N8 O8 P4 Rh2'
_chemical_formula_weight         2338.89
_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                 101.197(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.768(2)
_cell_length_b                   13.8071(12)
_cell_length_c                   33.211(3)
_cell_measurement_temperature    173(2)
_cell_volume                     11591.1(17)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.340
_cod_duplicate_entry             4074830
_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               4060885
Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes
Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.; Organometallics 25 (2006) 1377–1391; doi:10.1021/om050922g

data_4060886
_publ_section_title
;
 Synthesis, Characterization, and Transition-Metal Complexes of
 3,4-Diazaphospholanes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1377
_journal_page_last               1391
_journal_paper_doi               10.1021/om050922g
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C27 H28 Cl N2 O4 P Pd'
_chemical_formula_weight         617.33
_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                86.1540(10)
_cell_angle_beta                 83.4480(10)
_cell_angle_gamma                81.0950(10)
_cell_formula_units_Z            2
_cell_length_a                   9.5131(3)
_cell_length_b                   10.7018(4)
_cell_length_c                   13.6300(5)
_cell_measurement_temperature    173(2)
_cell_volume                     1360.23(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.507
_cod_duplicate_entry             4074831
_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               4060886