Behavior of P-Pt and P-Pd Bonds in Phosphido Complexes toward Electrophilic Fragments
Ester Alonso; Juan Forniés; Consuelo Fortuño; Agustí Lledós; Antonio Martín; Ainara Nova; Inorganic Chemistry 48 (2009) 7679–7690; doi:10.1021/ic900415m

data_4302913
_publ_section_title
;
Behavior of P-Pt and P-Pd Bonds in Phosphido Complexes toward
Electrophilic Fragments
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7679
_journal_page_last               7690
_journal_paper_doi               10.1021/ic900415m
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C74.5 H55 Ag Cl6 F10 O4 P4 Pt2'
_chemical_formula_weight         2038.81
_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                90.734(7)
_cell_angle_beta                 91.811(6)
_cell_angle_gamma                113.422(7)
_cell_formula_units_Z            2
_cell_length_a                   12.7400(10)
_cell_length_b                   13.840(2)
_cell_length_c                   23.114(3)
_cell_measurement_reflns_used    350
_cell_measurement_temperature    566(2)
_cell_measurement_theta_max      23.8
_cell_measurement_theta_min      2.34
_cell_volume                     3736.4(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.931
_diffrn_measured_fraction_theta_max 0.840
_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  0.0708
_diffrn_reflns_av_sigmaI/netI    0.0548
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            18383
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.11
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    4.368
_exptl_absorpt_correction_T_max  0.4081
_exptl_absorpt_correction_T_min  0.2740
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.812
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1978
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.914
_refine_diff_density_min         -3.025
_refine_diff_density_rms         0.222
_refine_ls_extinction_coef       0.00112(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     921
_refine_ls_number_reflns         12478
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0589
_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^)+(0.0712P)^2^+41.8690P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1474
_refine_ls_wR_factor_ref         0.1564
_reflns_number_gt                11270
_reflns_number_total             12478
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900415m_si_002_1.cif
_cod_data_source_block           2
_cod_original_cell_volume        3736.5(8)
_cod_original_formula_sum        'C74.50 H55 Ag Cl6 F10 O4 P4 Pt2'
_cod_database_code               4302913