Hydrido Phosphanido Bridged Polynuclear Complexes Obtained by Protonation of a Phosphinito Bridged Pt(I) Complex with HBF4 and HF
Mario Latronico; Piero Mastrorilli; Vito Gallo; Maria Michela Dell'Anna; Francesco Creati; Nazzareno Re; Ulli Englert; Inorganic Chemistry 50 (2011) 3539–3558; doi:10.1021/ic102475e

data_4324878
_publ_contact_author_address
;
      Institut fuer Anorganische Chemie
      RWTH Aachen
      Landoltweg 1
      52074 Aachen
      Germany
;
_publ_contact_author_email       ullrich.englert@ac.rwth-aachen.de
_publ_contact_author_fax         0049-241-8092288
_publ_contact_author_name        'Ulli Englert'
_publ_contact_author_phone       0049-241-8094666
_publ_section_title
;
 Hydrido Phosphanido Bridged Polynuclear Complexes Obtained by Protonation
 of a Phosphinito Bridged Pt(I) Complex with HBF4 and HF
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3539
_journal_page_last               3558
_journal_paper_doi               10.1021/ic102475e
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C50 H95 N O P4 Pt2, 2(B F4)'
_chemical_formula_sum            'C50 H95 B2 F8 N O P4 Pt2'
_chemical_formula_weight         1413.95
_chemical_name_systematic
; 
 ? 
;
_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                 91.215(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.9836(6)
_cell_length_b                   22.6964(11)
_cell_length_c                   19.8898(10)
_cell_measurement_reflns_used    6717
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      22.04
_cell_measurement_theta_min      2.24
_cell_volume                     5859.8(5)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997b)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1211
_diffrn_reflns_av_sigmaI/netI    0.1042
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            97869
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    4.939
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_correction_T_min  0.51
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_description       rod
_exptl_crystal_F_000             2832
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.605
_refine_diff_density_min         -2.156
_refine_diff_density_rms         0.251
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     618
_refine_ls_number_reflns         14137
_refine_ls_number_restraints     62
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0529
_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^)+(0.0140P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0818
_refine_ls_wR_factor_ref         0.0890
_reflns_number_gt                10428
_reflns_number_total             14137
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102475e_si_002_1.cif
_cod_data_source_block           pm21
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_database_code               4324878