Di-μ-iodido-bis[iodido(triphenylphosphine-κ<i>P</i>)platinum(II)]
Biswas, Achintesh Narayan; Bagchi, Vivek; Das, Purak; Bandyopadhyay, Pinaki; Acta Crystallographica Section E 63 (2007) m2836–m2836; doi:10.1107/S1600536807052488

data_2215741
_publ_section_title
;
 Di-\m-iodido-bis[iodido(triphenylphosphine-\k<i>P</i>)platinum(II)]
;
_journal_coeditor_code           AT2435
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2836
_journal_page_last               m2836
_journal_paper_doi               10.1107/S1600536807052488
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pt2 I4 (C18 H15 P)2]'
_chemical_formula_moiety         'C36 H30 I4 P2 Pt2'
_chemical_formula_sum            'C36 H30 I4 P2 Pt2'
_chemical_formula_weight         1422.32
_chemical_name_systematic
;
Di-\m-iodido-bis[iodido(triphenylphosphine-\kP)platinum(II)]
;
_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                 117.980(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.036(4)
_cell_length_b                   15.874(4)
_cell_length_c                   16.882(4)
_cell_measurement_reflns_used    6689
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.4
_cell_volume                     3795.1(16)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_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  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0245
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            35551
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    10.728
_exptl_absorpt_correction_T_max  0.277
_exptl_absorpt_correction_T_min  0.048
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    2.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2576
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.845
_refine_diff_density_min         -0.699
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6689
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0255
_refine_ls_R_factor_gt           0.0225
_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^)+(0.0238P)^2^+6.7173P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0541
_refine_ls_wR_factor_ref         0.0587
_reflns_number_gt                6163
_reflns_number_total             6689
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2435.cif
_cod_data_source_block           I
_cod_original_cell_volume        3794.8(17)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2215741
_cod_database_fobs_code          2215741