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_7001506
_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
'C120 H100 Cl I7 P8 Pt6, 3(C H2 Cl2), C6 H5 Cl'
_chemical_formula_sum            'C129 H111 Cl8 I7 P8 Pt6'
_chemical_formula_weight         4251.38
_chemical_name_systematic
;
?
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                82.66(5)
_cell_angle_beta                 74.61(5)
_cell_angle_gamma                81.38(5)
_cell_formula_units_Z            2
_cell_length_a                   17.028(2)
_cell_length_b                   18.333(2)
_cell_length_c                   22.087(2)
_cell_measurement_reflns_used    77372
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     6545(2)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\p 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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1203
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            31118
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         1.13
_exptl_absorpt_coefficient_mu    8.348
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.157
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3960
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         4.001
_refine_diff_density_min         -6.132
_refine_diff_density_rms         0.508
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1360
_refine_ls_number_reflns         31118
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.149
_refine_ls_R_factor_all          0.1149
_refine_ls_R_factor_gt           0.0768
_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^)+(0.0900P)^2^+48.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2078
_refine_ls_wR_factor_ref         0.2310
_reflns_number_gt                20399
_reflns_number_total             31118
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b901563a.txt
_cod_data_source_block           pt3x4
_cod_original_cell_volume        6544.6(21)
_cod_database_code               7001506