LMucko/crystallography-open-database huggingface dataset:
Filippou, Alexander C.; Philippopoulos, Athanassios I.; Portius, Peter; Schnakenburg, Gregor; Organometallics  (2004) –; doi:10.1021/om049625m

data_4062774
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049625m
_journal_year                    2004
_chemical_formula_moiety         'C64 H66 Ge N P4 W, C24 B F20'
_chemical_formula_sum            'C88 H66 B F20 Ge N P4 W'
_chemical_formula_weight         1908.55
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.17(4)
_cell_angle_beta                 97.74(3)
_cell_angle_gamma                90.75(3)
_cell_formula_units_Z            2
_cell_length_a                   11.655(4)
_cell_length_b                   17.604(6)
_cell_length_c                   20.121(6)
_cell_measurement_temperature    180(2)
_cell_volume                     3962(2)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.600
_cod_database_code               4062774
; Organometallics  (2004) –; doi:10.1021/om049629r

data_4062775
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049629r
_journal_year                    2004
_chemical_formula_sum            'C48 H78 B18 Cl Na O4 Zr'
_chemical_formula_weight         1063.34
_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                63.359(11)
_cell_angle_beta                 86.494(13)
_cell_angle_gamma                83.524(14)
_cell_formula_units_Z            2
_cell_length_a                   14.287(7)
_cell_length_b                   15.103(7)
_cell_length_c                   15.133(8)
_cell_measurement_temperature    293(2)
_cell_volume                     2900(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.218
_cod_database_code               4062775
; Organometallics  (2004) –; doi:10.1021/om049629r

data_4062776
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049629r
_journal_year                    2004
_chemical_formula_sum            'C52 H86 B18 Cl Li O5 Zr'
_chemical_formula_weight         1119.40
_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                87.1430(10)
_cell_angle_beta                 85.8300(10)
_cell_angle_gamma                86.2520(10)
_cell_formula_units_Z            2
_cell_length_a                   11.5719(8)
_cell_length_b                   13.5746(9)
_cell_length_c                   19.7788(13)
_cell_measurement_temperature    293(2)
_cell_volume                     3088.9(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.204
_cod_database_code               4062776
; Organometallics  (2004) –; doi:10.1021/om049629r

data_4062777
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049629r
_journal_year                    2004
_chemical_formula_sum            'C34 H47 B9 O'
_chemical_formula_weight         569.01
_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                 100.481(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6160(17)
_cell_length_b                   10.9684(18)
_cell_length_c                   28.299(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3240.2(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.166
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062777
; Organometallics  (2004) –; doi:10.1021/om049629r

data_4062778
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049629r
_journal_year                    2004
_chemical_formula_sum            'C29 H56 B9 Cl2 N3 Ti'
_chemical_formula_weight         662.86
_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                85.430(2)
_cell_angle_beta                 88.300(2)
_cell_angle_gamma                65.134(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2490(11)
_cell_length_b                   11.3742(13)
_cell_length_c                   17.818(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1878.6(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.172
_cod_database_code               4062778
; Organometallics  (2004) –; doi:10.1021/om0496380

data_4062779
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0496380
_journal_year                    2004
_chemical_formula_sum            'C31 H45 Cu N2 O'
_chemical_formula_weight         525.23
_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                 112.44
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4662(5)
_cell_length_b                   23.4546(12)
_cell_length_c                   13.7109(7)
_cell_measurement_temperature    194(2)
_cell_volume                     3110.9(3)
_diffrn_ambient_temperature      194(2)
_exptl_crystal_density_diffrn    1.121
_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               4062779
; Organometallics  (2004) –; doi:10.1021/om0496380

data_4062780
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0496380
_journal_year                    2004
_chemical_formula_sum            'C54 H72 Cu2 N4'
_chemical_formula_weight         904.24
_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                94.099(2)
_cell_angle_beta                 91.754(3)
_cell_angle_gamma                90.797(3)
_cell_formula_units_Z            8
_cell_length_a                   10.6912(13)
_cell_length_b                   25.051(3)
_cell_length_c                   39.516(5)
_cell_measurement_temperature    194(2)
_cell_volume                     10550(2)
_diffrn_ambient_temperature      194(2)
_exptl_crystal_density_diffrn    1.139
_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               4062780
; Organometallics  (2004) –; doi:10.1021/om0496380

data_4062781
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0496380
_journal_year                    2004
_chemical_formula_sum            'C33 H47 Cu N2'
_chemical_formula_weight         535.27
_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                92.124(2)
_cell_angle_beta                 103.080(2)
_cell_angle_gamma                106.695(2)
_cell_formula_units_Z            2
_cell_length_a                   10.6579(11)
_cell_length_b                   12.5522(12)
_cell_length_c                   12.9530(13)
_cell_measurement_temperature    194(2)
_cell_volume                     1607.0(3)
_diffrn_ambient_temperature      194(2)
_exptl_crystal_density_diffrn    1.106
_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               4062781
; Organometallics  (2004) –; doi:10.1021/om049640r

data_4062782
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049640r
_journal_year                    2004
_chemical_formula_sum            'C46 H33 N3 O2 Te'
_chemical_formula_weight         787.35
_chemical_name_common            Te-Porphyrin
_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                 116.4820(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   35.6580(13)
_cell_length_b                   12.4853(4)
_cell_length_c                   18.0090(6)
_cell_measurement_temperature    90(1)
_cell_volume                     7176.4(4)
_diffrn_ambient_temperature      90(1)
_exptl_crystal_density_diffrn    1.457
_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               4062782
; Organometallics  (2004) –; doi:10.1021/om049640r

data_4062783
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049640r
_journal_year                    2004
_chemical_formula_sum            'C46.9 H34.65 Cl3.2 N3 O2.25 Te'
_chemical_formula_weight         917.27
_chemical_name_common            'TeCl2-Porphyrin x 0.25EtOH x 0.4CHCl3'
_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                 93.1590(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.8613(8)
_cell_length_b                   10.7521(5)
_cell_length_c                   21.3737(9)
_cell_measurement_temperature    90(1)
_cell_volume                     4328.0(3)
_diffrn_ambient_temperature      90(1)
_exptl_crystal_density_diffrn    1.408
_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        'C46.90 H34.65 Cl3.20 N3 O2.25 Te'
_cod_database_code               4062783
; Organometallics  (2004) –; doi:10.1021/om049645o

data_4062784
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049645o
_journal_year                    2004
_chemical_formula_sum            'C18 H12 Cr2 O6 Se'
_chemical_formula_weight         507.24
_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                 107.335(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.496(11)
_cell_length_b                   11.788(5)
_cell_length_c                   11.791(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3648(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.847
_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               4062784
; Organometallics  (2004) –; doi:10.1021/om049646g

data_4062785
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049646g
_journal_year                    2004
_chemical_formula_sum            'C42 H39 Cl O P2 Ru'
_chemical_formula_weight         758.19
_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                87.811(2)
_cell_angle_beta                 82.016(2)
_cell_angle_gamma                67.2980(10)
_cell_formula_units_Z            2
_cell_length_a                   9.9594(10)
_cell_length_b                   10.1567(10)
_cell_length_c                   18.8676(18)
_cell_measurement_temperature    100(2)
_cell_volume                     1743.4(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.444
_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               4062785
N-C Cleavage in Pincer PNP Complexes of Palladium
Fan, L.; Yang, L.; Foxman, B. M.; Ozerov, O. V.; Organometallics 23 (2004) 4778–4787; doi:10.1021/om049651k

data_4062786
_publ_section_title
;
N-C Cleavage in Pincer PNP Complexes of Palladium
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4778
_journal_page_last               4787
_journal_paper_doi               10.1021/om049651k
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C26 H37 Br2 Cl1 F3 N1 O3 P2 Pd1 S1'
_chemical_formula_sum            'C26 H37 Br2 Cl F3 N O3 P2 Pd S'
_chemical_formula_weight         864.25
_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                65.579(12)
_cell_angle_beta                 80.310(12)
_cell_angle_gamma                84.953(9)
_cell_formula_units_Z            2
_cell_length_a                   10.6525(12)
_cell_length_b                   11.3108(11)
_cell_length_c                   15.691(3)
_cell_measurement_temperature    294
_cell_volume                     1696.5(4)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    1.692
_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        ' C26 H37 Br2 Cl1 F3 N1 O3 P2 Pd1 S1 '
_cod_database_code               4062786
N-C Cleavage in Pincer PNP Complexes of Palladium
Fan, L.; Yang, L.; Foxman, B. M.; Ozerov, O. V.; Organometallics 23 (2004) 4778–4787; doi:10.1021/om049651k

data_4062787
_publ_section_title
;
N-C Cleavage in Pincer PNP Complexes of Palladium
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4778
_journal_page_last               4787
_journal_paper_doi               10.1021/om049651k
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C26 H37 F2 N1 O2 P2 Pd1'
_chemical_formula_sum            'C26 H37 F2 N O2 P2 Pd'
_chemical_formula_weight         601.93
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.3531(6)
_cell_length_b                   15.7202(14)
_cell_length_c                   17.6461(15)
_cell_measurement_temperature    294
_cell_volume                     2872.0(4)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    1.392
_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_original_formula_sum        ' C26 H37 F2 N1 O2 P2 Pd1'
_cod_database_code               4062787
Pascal Dotta; P.G. Anil Kumar; Paul S. Pregosin; Alberto Albinati; Silvia Rizzato; Organometallics  (2004) –; doi:10.1021/om0496535

data_4062788
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0496535
_journal_year                    2004
_chemical_formula_sum            'C66 H50 B2 F8 O2 P2 Pd2'
_chemical_formula_weight         1323.42
_chemical_name_common            '[Pd(MeO-MOP)]2(BF4)2'
_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                90.000(2)
_cell_angle_beta                 100.175(2)
_cell_angle_gamma                90.000(2)
_cell_formula_units_Z            2
_cell_length_a                   11.3415(10)
_cell_length_b                   16.9947(14)
_cell_length_c                   15.1263(13)
_cell_measurement_temperature    293(2)
_cell_volume                     2869.7(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.532
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4062788
Rhodium η^1^-Norbornenyl Copmplexes; Possibilities for Catalitic Oxidation of Norbornadiene to Norbornenone
Hetterscheid, Dennis G.H.; Smits, Jan M. M.; de Bruin, Bas; Organometallics  (2004) –; doi:10.1021/om049654x

data_4062789
_publ_section_title
;
Rhodium \h^1^-Norbornenyl Copmplexes; Possibilities for Catalitic
Oxidation of Norbornadiene to Norbornenone
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049654x
_journal_year                    2004
_chemical_formula_sum            'C20 H23 F6 N3 P Rh'
_chemical_formula_weight         553.29
_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                 93.947(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8225(12)
_cell_length_b                   13.335(2)
_cell_length_c                   14.711(3)
_cell_measurement_temperature    208(2)
_cell_volume                     2118.0(6)
_diffrn_ambient_temperature      208(2)
_exptl_crystal_density_diffrn    1.735
_refine_ls_R_factor_obs          0.0265
_refine_ls_wR_factor_obs         0.0576
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (44 times).

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               4062789
Rhodium η^1^-Norbornenyl Copmplexes; Possibilities for Catalitic Oxidation of Norbornadiene to Norbornenone
Hetterscheid, Dennis G.H.; Smits, Jan M. M.; de Bruin, Bas; Organometallics  (2004) –; doi:10.1021/om049654x

data_4062790
_publ_section_title
;
Rhodium \h^1^-Norbornenyl Copmplexes; Possibilities for Catalitic
Oxidation of Norbornadiene to Norbornenone
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049654x
_journal_year                    2004
_chemical_formula_sum            'C44 H44 B Cl N3 O Rh'
_chemical_formula_weight         779.99
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                68.189(4)
_cell_angle_beta                 86.382(5)
_cell_angle_gamma                75.528(4)
_cell_formula_units_Z            2
_cell_length_a                   10.2395(5)
_cell_length_b                   13.8332(7)
_cell_length_c                   14.5277(8)
_cell_measurement_temperature    208(2)
_cell_volume                     1848.84(17)
_diffrn_ambient_temperature      208(2)
_exptl_crystal_density_diffrn    1.401
_refine_ls_R_factor_obs          0.0653
_refine_ls_wR_factor_obs         0.1577
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (61 time).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4062790
Rhodium η^1^-Norbornenyl Copmplexes; Possibilities for Catalitic Oxidation of Norbornadiene to Norbornenone
Hetterscheid, Dennis G.H.; Smits, Jan M. M.; de Bruin, Bas; Organometallics  (2004) –; doi:10.1021/om049654x

data_4062791
_publ_section_title
;
Rhodium \h^1^-Norbornenyl Copmplexes; Possibilities for Catalitic
Oxidation of Norbornadiene to Norbornenone
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049654x
_journal_year                    2004
_chemical_formula_sum            'C20 H23 Cl F6 N3 P Rh'
_chemical_formula_weight         588.74
_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                 98.61(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.173(3)
_cell_length_b                   22.340(6)
_cell_length_c                   16.478(4)
_cell_measurement_temperature    208(2)
_cell_volume                     4795(2)
_diffrn_ambient_temperature      208(2)
_exptl_crystal_density_diffrn    1.631
_refine_ls_R_factor_obs          0.0616
_refine_ls_wR_factor_obs         0.1371
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (39 times).

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               4062791