Di- and trinuclear phosphido-bridged platinum complexes. Crystal structures of [Pt{CH2=CHC(O)OMe}(PPh3)2], trans-[Pt2(μ-PPh2)2I2(PPh3)2] and cis,cis,cis-[Pt3(μ-I)2(μ-PPh2)2Cl0.5I1.5(PPh3)2]
Bender, Robert; Okio, Coco; Welter, Richard; Braunstein, Pierre; Dalton Transactions  (2009) 4901–4907; doi:10.1039/b901563a

data_7001505
_publ_section_title
;
 Di- and trinuclear phosphido-bridged platinum complexes. Crystal
 structures of [Pt{CH2=CHC(O)OMe}(PPh3)2],
 trans-[Pt2(\m-PPh2)2I2(PPh3)2] and
 cis,cis,cis-[Pt3(\m-I)2(\m-PPh2)2Cl0.5I1.5(PPh3)2]
;
_journal_issue                   25
_journal_name_full               'Dalton Transactions'
_journal_page_first              4901
_journal_page_last               4907
_journal_paper_doi               10.1039/b901563a
_journal_year                    2009
_chemical_formula_moiety         'C40 H36 O2 P2 Pt, C H2 Cl2'
_chemical_formula_sum            'C41 H38 Cl2 O2 P2 Pt'
_chemical_formula_weight         890.64
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 90.27(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.160(2)
_cell_length_b                   14.283(2)
_cell_length_c                   21.322(2)
_cell_measurement_reflns_used    19524
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     3703.2(9)
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0582
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10820
_diffrn_reflns_theta_full        30.04
_diffrn_reflns_theta_max         30.04
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    4.054
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1768
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.608
_refine_diff_density_min         -2.090
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         10819
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0283
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0192P)^2^+0.3996P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0803
_reflns_number_gt                7538
_reflns_number_total             10819
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b901563a.txt
_cod_data_source_block           pt_acrylate
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7001505