LMucko/crystallography-open-database huggingface dataset:
New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group
Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique; Organometallics 25 (2006) 1448–1460; doi:10.1021/om051031b

data_4060951
_publ_section_title
;
 New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV)
 Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether
 Substituent: Behavior and Influence in the Hydroamination of
 Alkynes of the Ether Group
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1448
_journal_page_last               1460
_journal_paper_doi               10.1021/om051031b
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C23 H34 Cl2 O2 Ti'
_chemical_formula_weight         461.30
_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                 100.225(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.191(4)
_cell_length_b                   10.3853(17)
_cell_length_c                   11.541(2)
_cell_measurement_temperature    173(2)
_cell_volume                     2381.6(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.287
_cod_duplicate_entry             4074943
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060951
Mixed Dicarboxylato‒Bis(carbene) Complexes of Palladium(II): Synthesis, Structures, Trans‒Cis Isomerism, and Catalytic Activity
Huynh, Han Vinh; Neo, Tiong Cheng; Tan, Geok Kheng; Organometallics 25 (2006) 1298–1302; doi:10.1021/om0510369

data_4060952
_publ_section_title
;
 Mixed Dicarboxylato--Bis(carbene) Complexes of Palladium(II):
 Synthesis, Structures, Trans--Cis Isomerism, and Catalytic Activity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1298
_journal_page_last               1302
_journal_paper_doi               10.1021/om0510369
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C23 H28 Cl2 N4 O4 Pd'
_chemical_formula_weight         601.79
_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                 101.675(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.699(2)
_cell_length_b                   10.4716(12)
_cell_length_c                   12.4761(15)
_cell_measurement_temperature    223(2)
_cell_volume                     2520.4(5)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.586
_cod_duplicate_entry             4074945
_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               4060952
Mixed Dicarboxylato‒Bis(carbene) Complexes of Palladium(II): Synthesis, Structures, Trans‒Cis Isomerism, and Catalytic Activity
Huynh, Han Vinh; Neo, Tiong Cheng; Tan, Geok Kheng; Organometallics 25 (2006) 1298–1302; doi:10.1021/om0510369

data_4060953
_publ_section_title
;
 Mixed Dicarboxylato--Bis(carbene) Complexes of Palladium(II):
 Synthesis, Structures, Trans--Cis Isomerism, and Catalytic Activity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1298
_journal_page_last               1302
_journal_paper_doi               10.1021/om0510369
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C25 H26 F6 N4 O5 Pd'
_chemical_formula_weight         682.90
_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                 106.5660(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.7749(10)
_cell_length_b                   13.2977(7)
_cell_length_c                   12.9440(7)
_cell_measurement_temperature    223(2)
_cell_volume                     2932.5(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.547
_cod_duplicate_entry             4074946
_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               4060953
Mixed Dicarboxylato‒Bis(carbene) Complexes of Palladium(II): Synthesis, Structures, Trans‒Cis Isomerism, and Catalytic Activity
Huynh, Han Vinh; Neo, Tiong Cheng; Tan, Geok Kheng; Organometallics 25 (2006) 1298–1302; doi:10.1021/om0510369

data_4060954
_publ_section_title
;
 Mixed Dicarboxylato--Bis(carbene) Complexes of Palladium(II):
 Synthesis, Structures, Trans--Cis Isomerism, and Catalytic Activity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1298
_journal_page_last               1302
_journal_paper_doi               10.1021/om0510369
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C27.5 H24 F10 N4 O4 Pd'
_chemical_formula_weight         770.91
_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                 97.893(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.1440(7)
_cell_length_b                   24.1984(13)
_cell_length_c                   21.5159(13)
_cell_measurement_temperature    223(2)
_cell_volume                     6262.9(6)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.635
_cod_duplicate_entry             4074947
_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        'C27.50 H24 F10 N4 O4 Pd'
_cod_database_code               4060954
Synthesis and Crystal Structure of Ethyl Zinc Chloride
Guerrero, Antonio; Hughes, David L.; Bochmann, Manfred; Organometallics 25 (2006) 1525–1527; doi:10.1021/om051043x

data_4060955
_publ_section_title
;
 Synthesis and Crystal Structure of Ethyl Zinc Chloride
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1525
_journal_page_last               1527
_journal_paper_doi               10.1021/om051043x
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C2 H5 Cl Zn'
_chemical_formula_structural     '[Zn Et Cl]'
_chemical_formula_sum            'C2 H5 Cl Zn'
_chemical_formula_weight         129.88
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   6.3802(6)
_cell_length_b                   5.9324(4)
_cell_length_c                   21.8428(17)
_cell_measurement_temperature    140(2)
_cell_volume                     826.75(12)
_diffrn_ambient_temperature      140(1)
_exptl_crystal_density_diffrn    2.087
_cod_duplicate_entry             4074951
_cod_database_code               4060955
Catalytic Allylic Alkylation and Allylic Phenolation Reactions with Ruthenium Complexes. Solid-State Structures of a Model Catalytic DMF Intermediate, [Ru(Cp*)(Cl)(η3-C3H5)(DMF)](PF6), and a New Tetranuclear Salt, [Ru(Cp){Ru(Cp)(η6-p-CH3C6H4CN)}3](PF6)4
Hermatschweiler, René; Fernández, Ignacio; Pregosin, Paul S.; Breher, Frank; Organometallics 25 (2006) 1440–1447; doi:10.1021/om051050l

data_4060956
_publ_section_title
;
 Catalytic Allylic Alkylation and Allylic Phenolation Reactions with
 Ruthenium Complexes. Solid-State Structures of a Model Catalytic DMF
 Intermediate, [Ru(Cp*)(Cl)(\h3-C3H5)(DMF)](PF6), and a New Tetranuclear
 Salt, [Ru(Cp){Ru(Cp)(\h6-p-CH3C6H4CN)}3](PF6)4
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1440
_journal_page_last               1447
_journal_paper_doi               10.1021/om051050l
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C16 H27 Cl N O Ru, F6 P'
_chemical_formula_sum            'C16 H27 Cl F6 N O P Ru'
_chemical_formula_weight         530.88
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_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                   8.5587(9)
_cell_length_b                   14.4403(15)
_cell_length_c                   16.9278(18)
_cell_measurement_temperature    200(2)
_cell_volume                     2092.1(4)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.685
_cod_duplicate_entry             4074952
_cod_original_sg_symbol_Hall     P2ac2ab
_cod_database_code               4060956
Catalytic Allylic Alkylation and Allylic Phenolation Reactions with Ruthenium Complexes. Solid-State Structures of a Model Catalytic DMF Intermediate, [Ru(Cp*)(Cl)(η3-C3H5)(DMF)](PF6), and a New Tetranuclear Salt, [Ru(Cp){Ru(Cp)(η6-p-CH3C6H4CN)}3](PF6)4
Hermatschweiler, René; Fernández, Ignacio; Pregosin, Paul S.; Breher, Frank; Organometallics 25 (2006) 1440–1447; doi:10.1021/om051050l

data_4060957
_publ_section_title
;
 Catalytic Allylic Alkylation and Allylic Phenolation Reactions with
 Ruthenium Complexes. Solid-State Structures of a Model Catalytic DMF
 Intermediate, [Ru(Cp*)(Cl)(\h3-C3H5)(DMF)](PF6), and a New Tetranuclear
 Salt, [Ru(Cp){Ru(Cp)(\h6-p-CH3C6H4CN)}3](PF6)4
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1440
_journal_page_last               1447
_journal_paper_doi               10.1021/om051050l
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C44 H41 N3 Ru4, 4(F6 P)'
_chemical_formula_sum            'C44 H41 F24 N3 P4 Ru4'
_chemical_formula_weight         1595.96
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   17.5476(5)
_cell_length_b                   17.5476(5)
_cell_length_c                   30.2034(17)
_cell_measurement_temperature    200(2)
_cell_volume                     8054.2(6)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.974
_cod_duplicate_entry             4074953
_cod_original_sg_symbol_Hall     R3-2"c
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               4060957
Simple Functionalizations of Pentamethylcyclopentadienyl Ligands by Reactions of Decamethylzirconocene Complexes with Carbon Dioxide
Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe; Organometallics 25 (2006) 1317–1320; doi:10.1021/om051063z

data_4060958
_publ_section_title
;
 Simple Functionalizations of Pentamethylcyclopentadienyl Ligands by
 Reactions of Decamethylzirconocene Complexes with Carbon Dioxide
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1317
_journal_page_last               1320
_journal_paper_doi               10.1021/om051063z
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C29 H48 O2 Si2 Zr'
_chemical_formula_weight         576.07
_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                 91.92(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.136(2)
_cell_length_b                   16.912(3)
_cell_length_c                   14.873(3)
_cell_measurement_temperature    200(2)
_cell_volume                     3050.9(10)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.254
_cod_duplicate_entry             4074963
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060958
Simple Functionalizations of Pentamethylcyclopentadienyl Ligands by Reactions of Decamethylzirconocene Complexes with Carbon Dioxide
Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe; Organometallics 25 (2006) 1317–1320; doi:10.1021/om051063z

data_4060959
_publ_section_title
;
 Simple Functionalizations of Pentamethylcyclopentadienyl Ligands by
 Reactions of Decamethylzirconocene Complexes with Carbon Dioxide
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1317
_journal_page_last               1320
_journal_paper_doi               10.1021/om051063z
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C35 H52 O4.25 Zr'
_chemical_formula_weight         631.99
_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                 93.21(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.363(3)
_cell_length_b                   24.786(5)
_cell_length_c                   21.233(4)
_cell_measurement_temperature    200(2)
_cell_volume                     7021.7(25)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.196
_refine_ls_R_factor_obs          0.0593
_refine_ls_wR_factor_obs         0.1419
_cod_duplicate_entry             4074964
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060959
Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes
Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Organometallics 25 (2006) 1461–1471; doi:10.1021/om0510775

data_4060960
_publ_section_title
;
 Synthesis and Structural Characterization of a Series of Novel
 Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated
 Iridium(III) Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1461
_journal_page_last               1471
_journal_paper_doi               10.1021/om0510775
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C18 H40 Cl2 O P2 Pd2'
_chemical_formula_weight         618.14
_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                 110.881(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.4000(15)
_cell_length_b                   11.3999(11)
_cell_length_c                   15.4278(15)
_cell_measurement_temperature    173(2)
_cell_volume                     2530.6(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.622
_cod_duplicate_entry             4074985
_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               4060960
Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes
Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Organometallics 25 (2006) 1461–1471; doi:10.1021/om0510775

data_4060961
_publ_section_title
;
 Synthesis and Structural Characterization of a Series of Novel
 Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated
 Iridium(III) Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1461
_journal_page_last               1471
_journal_paper_doi               10.1021/om0510775
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C62 H44 Cl4 F6 Ir N2 O P'
_chemical_formula_weight         1311.96
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 112.026(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.4653(19)
_cell_length_b                   12.1974(11)
_cell_length_c                   22.708(2)
_cell_measurement_temperature    293(2)
_cell_volume                     5254.8(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.658
_cod_duplicate_entry             4074986
_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 2/c'
_cod_database_code               4060961
Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes
Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Organometallics 25 (2006) 1461–1471; doi:10.1021/om0510775

data_4060962
_publ_section_title
;
 Synthesis and Structural Characterization of a Series of Novel
 Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated
 Iridium(III) Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1461
_journal_page_last               1471
_journal_paper_doi               10.1021/om0510775
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C66 H50 F6 Ir N2 O3 P'
_chemical_formula_weight         1256.25
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 113.766(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.579(3)
_cell_length_b                   12.2266(19)
_cell_length_c                   22.819(4)
_cell_measurement_temperature    293(2)
_cell_volume                     5254.6(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_meas      hemisphere
_cod_duplicate_entry             4074987
_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 2/c'
_cod_database_code               4060962
Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes
Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Organometallics 25 (2006) 1461–1471; doi:10.1021/om0510775

data_4060963
_publ_section_title
;
 Synthesis and Structural Characterization of a Series of Novel
 Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated
 Iridium(III) Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1461
_journal_page_last               1471
_journal_paper_doi               10.1021/om0510775
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C29 H15 F6 N'
_chemical_formula_weight         491.42
_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                 95.164(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.850(3)
_cell_length_b                   15.742(3)
_cell_length_c                   7.7547(15)
_cell_measurement_temperature    293(2)
_cell_volume                     2170.2(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.504
_cod_duplicate_entry             4074988
_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               4060963