<i>trans</i>-Dibromidobis[diphenyl(<i>p</i>-tolyl)phosphine]palladium(II)
Kirsten, Leo; Steyl, Gideon; Roodt, Andreas; Acta Crystallographica Section E 65 (2009) m1564–; doi:10.1107/S1600536809045401

data_2224166
_publ_section_title
;
 <i>trans</i>-Dibromidobis[diphenyl(<i>p</i>-tolyl)phosphine]palladium(II)
;
_journal_coeditor_code           CV2640
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1564
_journal_paper_doi               10.1107/S1600536809045401
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Pd Br2 (C19 H17 P)2]'
_chemical_formula_moiety         'C38 H34 Br2 P2 Pd'
_chemical_formula_sum            'C38 H34 Br2 P2 Pd'
_chemical_formula_weight         818.81
_chemical_name_systematic
;
<i>trans</i>-Dibromidobis[diphenyl(<i>p</i>-tolyl)phosphine]palladium(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   'riding model'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                70.876(2)
_cell_angle_beta                 68.288(2)
_cell_angle_gamma                60.312(2)
_cell_formula_units_Z            1
_cell_length_a                   10.0321(4)
_cell_length_b                   10.0521(4)
_cell_length_c                   10.2967(4)
_cell_measurement_reflns_used    6740
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.37
_cell_volume                     824.54(6)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT-Plus and XPREP (Bruker, 2004)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
;
Bruker X8 APEXII 4K Kappa CCD
;
_diffrn_measurement_method       '\f and \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  0.0290
_diffrn_reflns_av_sigmaI/netI    0.0195
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            25915
_diffrn_reflns_theta_full        27.99
_diffrn_reflns_theta_max         27.99
_diffrn_reflns_theta_min         2.37
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.109
_exptl_absorpt_correction_T_max  0.7672
_exptl_absorpt_correction_T_min  0.4268
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 1998)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Cuboid
_exptl_crystal_F_000             408
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.788
_refine_diff_density_min         -0.457
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     196
_refine_ls_number_reflns         3982
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0250
_refine_ls_R_factor_gt           0.0207
_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^)+(0.0199P)^2^+0.7898P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0489
_refine_ls_wR_factor_ref         0.0507
_reflns_number_gt                3621
_reflns_number_total             3982
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv2640.cif
_cod_data_source_block           I
_cod_database_code               2224166
_cod_database_fobs_code          2224166