(Perfluoro)alkylsilyl-Substituted 2-[Bis(4-aryl)phosphino]pyridines: Synthesis and Comparison of Their Palladium Complexes in Methoxycarbonylation of Phenylacetylene in Regular Solvents and Supercritical CO2
de Pater, Jeroen. J. M.; Maljaars, C. Elizabeth P.; de Wolf, Elwin; Lutz, Martin; Spek, Anthony L.; Deelman, Berth-Jan; Elsevier, Cornelis J.; van Koten, Gerard; Organometallics 24 (2005) 5299–; doi:10.1021/om050479+

data_4083944
_publ_section_title
;
 (Perfluoro)alkylsilyl-Substituted
 2-[Bis(4-aryl)phosphino]pyridines:&#x00A0; Synthesis and Comparison of
 Their Palladium Complexes in Methoxycarbonylation of Phenylacetylene in
 Regular Solvents and Supercritical CO2
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5299
_journal_paper_doi               10.1021/om050479+
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C34 H24 Br4 Cl2 N2 P2 Pd'
_chemical_formula_sum            'C34 H24 Br4 Cl2 N2 P2 Pd'
_chemical_formula_weight         1019.43
_chemical_name_systematic
; 
 ? 
;
_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'
_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                 117.1114(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.5697(1)
_cell_length_b                   7.5837(1)
_cell_length_c                   19.7320(2)
_cell_measurement_temperature    150(2)
_cell_volume                     1807.47(3)
_computing_cell_refinement       HKL2000
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'HKL2000, Sortav'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_sigmaI/netI    0.0278
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            32263
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    5.199
_exptl_absorpt_correction_T_max  0.46
_exptl_absorpt_correction_T_min  0.42
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.873
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.482
_refine_diff_density_min         -1.511
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         4151
_refine_ls_number_restraints     138
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0372P)^2^+4.0289P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0928
_refine_ls_wR_factor_ref         0.1000
_reflns_number_gt                3377
_reflns_number_total             4151
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om050479%2Bsi20050812_095253.cif
_cod_data_source_block           s2976a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4083944