Synthesis and Structure of Pt(II) Phosphonato-Phosphine Complexes and of a P,O-Stabilized Metal-Metal-Bonded Pt2Ag2 Complex
Nicola Oberbeckmann-Winter; Xavier Morise; Pierre Braunstein; Richard Welter; Inorganic Chemistry 44 (2005) 1391–1403; doi:10.1021/ic0485559

data_4308709
_publ_contact_author_address
;
Institut Le Bel, rue Blaise Pascal,
67000 STRASBOURG, FRANCE
;
_publ_contact_author_email       braunst@chimie.u-strasbg.fr
_publ_contact_author_fax         0390241322
_publ_contact_author_name        'Pierre Braunstein'
_publ_contact_author_phone       0390241308
_publ_section_title
;
Synthesis and Structure of Pt(II) Phosphonato-Phosphine Complexes and of a
P,O-Stabilized Metal-Metal-Bonded Pt2Ag2 Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1391
_journal_page_last               1403
_journal_paper_doi               10.1021/ic0485559
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C47 H55 Cl O6 P4 Pt, C H2 Cl2'
_chemical_formula_sum            'C48 H57 Cl3 O6 P4 Pt'
_chemical_formula_weight         1155.26
_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                90.352(5)
_cell_angle_beta                 102.141(5)
_cell_angle_gamma                101.173(5)
_cell_formula_units_Z            2
_cell_length_a                   11.260(5)
_cell_length_b                   13.878(5)
_cell_length_c                   16.347(5)
_cell_measurement_reflns_used    25658
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     2447.1(16)
_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       '\p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_av_sigmaI/netI    0.0748
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            14308
_diffrn_reflns_theta_full        30.06
_diffrn_reflns_theta_max         30.06
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    3.208
_exptl_absorpt_correction_T_max  0.737
_exptl_absorpt_correction_T_min  0.671
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1164
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.254
_refine_diff_density_min         -2.085
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         14307
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0322
_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^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0787
_refine_ls_wR_factor_ref         0.0811
_reflns_number_gt                12766
_reflns_number_total             14307
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0485559si20041211_103736_5.cif
_cod_data_source_block           complex_5
_cod_database_code               4308709