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_4308705
_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         'C96 H110 Ag2 F6 O18 P8 Pt2 S2, 2(C F3 S O3)'
_chemical_formula_sum            'C98 H110 Ag2 F12 O24 P8 Pt2 S4'
_chemical_formula_weight         2881.78
_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                90.958(5)
_cell_angle_beta                 109.643(5)
_cell_angle_gamma                94.520(5)
_cell_formula_units_Z            1
_cell_length_a                   13.550(5)
_cell_length_b                   14.827(5)
_cell_length_c                   15.009(5)
_cell_measurement_reflns_used    63025
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     2828.1(17)
_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 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.038
_diffrn_reflns_av_sigmaI/netI    0.0925
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            16465
_diffrn_reflns_theta_full        30.04
_diffrn_reflns_theta_max         30.04
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    3.081
_exptl_absorpt_correction_T_max  0.547
_exptl_absorpt_correction_T_min  0.498
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            Off-white
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.829
_refine_diff_density_min         -1.848
_refine_diff_density_rms         0.313
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     658
_refine_ls_number_reflns         16464
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0558P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1175
_refine_ls_wR_factor_ref         0.1381
_reflns_number_gt                13584
_reflns_number_total             16464
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0485559si20041211_103736_1.cif
_cod_data_source_block           complex_8
_cod_database_code               4308705