<i>trans</i>-Diiodobis(triphenylphosphine)palladium(II)
Cave, Gareth W. V.; Errington, William; Rourke, Jonathan P.; Acta Crystallographica Section C 55 (1999) 320–322; doi:10.1107/S0108270198015868

data_2008234
_publ_section_title
;
 <i>trans</i>-Diiodobis(triphenylphosphine)palladium(II)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              320
_journal_page_last               322
_journal_paper_doi               10.1107/S0108270198015868
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Pd I2 (C18 H15 P1)2]'
_chemical_formula_moiety         'C36 H30 I2 P2 Pd'
_chemical_formula_sum            'C36 H30 I2 P2 Pd'
_chemical_formula_weight         884.74
_chemical_name_systematic
;
 trans-Diiodobis(triphenylphosphine)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'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                71.424(3)
_cell_angle_beta                 87.870(10)
_cell_angle_gamma                67.852(3)
_cell_formula_units_Z            1
_cell_length_a                   9.3761(6)
_cell_length_b                   9.4407(5)
_cell_length_c                   10.7822(6)
_cell_measurement_reflns_used    3679
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      28.66
_cell_measurement_theta_min      2.00
_cell_volume                     834.18(9)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1994a)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL/PC (Siemens, 1994b)'
_computing_publication_material  'SHELXTL/PC (Siemens, 1994b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL/PC (Siemens, 1994b)'
_diffrn_ambient_temperature      160(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.842
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4960
_diffrn_reflns_theta_full        28.66
_diffrn_reflns_theta_max         28.66
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.526
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.625
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             428
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.055
_refine_diff_density_min         -0.951
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         3608
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.047
_refine_ls_R_factor_gt           0.034
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0530P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.094
_reflns_number_gt                2793
_reflns_number_total             3608
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf1284.cif
_cod_data_source_block           cf1284
_cod_original_cell_volume        834.18(2)
_cod_database_code               2008234