Organometallic chemistry of bromodifluoromethyl substituted phosphines. The development of a novel nickel catalysed P?C bond forming reactionElectronic supplementary information (ESI) available: Selected spectroscopic data and procedures, and crystal structure information for trans-[Pd(Cy3P)2Br2]. See http://www.rsc.org/suppdata/dt/b3/b311799e/
Clarke, Matthew L.; Guy Orpen, A.; Pringle, Paul G.; Turley, Edward; Dalton Transactions  (2003) 4393–; doi:10.1039/b311799e

data_7013679
_publ_section_title
;
 Organometallic chemistry of bromodifluoromethyl substituted
 phosphines. The development of a novel nickel catalysed P?C bond
 forming reactionElectronic supplementary information (ESI) available:
 Selected spectroscopic data and procedures, and crystal structure
 information for trans-[Pd(Cy3P)2Br2]. See
 http://www.rsc.org/suppdata/dt/b3/b311799e/
;
_journal_issue                   23
_journal_name_full               'Dalton Transactions'
_journal_page_first              4393
_journal_paper_doi               10.1039/b311799e
_journal_year                    2003
_chemical_formula_moiety         'C23 H25 Br Cl2 F2 P Rh'
_chemical_formula_sum            'C23 H25 Br Cl2 F2 P Rh'
_chemical_formula_weight         624.12
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.679(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.890(3)
_cell_length_b                   8.3668(18)
_cell_length_c                   36.119(8)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      0.764
_cell_measurement_theta_min      0.622
_cell_volume                     4796.7(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'Frames, each covering 0.3 \% in \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_sigmaI/netI    0.0411
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            24225
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.13
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.692
_exptl_absorpt_correction_T_max  0.766
_exptl_absorpt_correction_T_min  0.405
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    none
_exptl_crystal_description       cube
_exptl_crystal_F_000             2480
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.462
_refine_diff_density_min         -1.414
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         5500
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.0709
_refine_ls_R_factor_gt           0.0573
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0451P)^2^+58.5618P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1285
_refine_ls_wR_factor_ref         0.1342
_reflns_number_gt                4609
_reflns_number_total             5500
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            b311799e.txt
_cod_data_source_block           sad
_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_cell_volume        4796.7(18)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7013679