Synthesis, Dynamic Behavior, and Reactivity of New Unsaturated Heterotrinuclear 46 Valence Electron Complexes Polynuclear Homo- or Heterometallic Palladium(II)-Platinum(II) Pentafluorophenyl Complexes Containing Bridging Diphenylphosphido Ligands. 27. For part 26, see ref 1.
Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Pilar Romero; Piero Mastrorilli; Vito Gallo; Inorganic Chemistry 50 (2011) 285–298; doi:10.1021/ic101934t

data_4324138
_publ_section_title
;
 Synthesis, Dynamic Behavior, and Reactivity of New Unsaturated
 Heterotrinuclear 46 Valence Electron Complexes Polynuclear Homo- or
 Heterometallic Palladium(II)-Platinum(II) Pentafluorophenyl Complexes
 Containing Bridging Diphenylphosphido Ligands. 27. For part 26, see ref
 1.
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              285
_journal_page_last               298
_journal_paper_doi               10.1021/ic101934t
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C78.4 H47.8 Cl2.8 F20 N P4 Pd Pt2'
_chemical_formula_weight         2103.50
_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                82.987(8)
_cell_angle_beta                 78.649(8)
_cell_angle_gamma                81.836(5)
_cell_formula_units_Z            2
_cell_length_a                   12.8636(8)
_cell_length_b                   13.7681(9)
_cell_length_c                   21.462(3)
_cell_measurement_reflns_used    24010
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.9018
_cell_measurement_theta_min      3.7406
_cell_volume                     3671.6(6)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details
;
  1 omega  -44.00    7.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -19.8053  -45.0000  120.0000    0.0000    0.0000 51

  2 omega  -44.00    7.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -19.8053  -45.0000    0.0000    0.0000    0.0000 51

  3 omega  -50.00    2.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       22.3053  -45.0000  120.0000    0.0000    0.0000 52

  4 omega    0.00   54.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       22.3053  -75.0000  120.0000    0.0000    0.0000 54

  5 omega   43.00   95.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       22.3053   45.0000  240.0000    0.0000    0.0000 52

  6 omega  -10.00   45.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       22.3053   75.0000    0.0000    0.0000    0.0000 55

  7 omega  -50.00    4.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       22.3053  -75.0000  240.0000    0.0000    0.0000 54

  8 omega    0.00   54.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       22.3053  -75.0000    0.0000    0.0000    0.0000 54

  9 omega   -5.00   47.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       22.3053   45.0000    0.0000    0.0000    0.0000 52

 10 omega   43.00   95.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       22.3053   45.0000    0.0000    0.0000    0.0000 52

 11 omega   -5.00   47.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       22.3053   45.0000  240.0000    0.0000    0.0000 52

 12 omega   41.00   95.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       22.3053   75.0000    0.0000    0.0000    0.0000 54

 13 omega    0.00   54.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       22.3053  -75.0000  240.0000    0.0000    0.0000 54

;
_diffrn_measurement_device_type  'Oxford Diffaction Xcalibur'
_diffrn_measurement_method       'w scans'
_diffrn_orient_matrix_UB_11      0.0517195010
_diffrn_orient_matrix_UB_12      -0.0024150021
_diffrn_orient_matrix_UB_13      0.0075126199
_diffrn_orient_matrix_UB_21      -0.0230592477
_diffrn_orient_matrix_UB_22      0.0177869880
_diffrn_orient_matrix_UB_23      0.0299218720
_diffrn_orient_matrix_UB_31      -0.0035773193
_diffrn_orient_matrix_UB_32      -0.0491111384
_diffrn_orient_matrix_UB_33      0.0140170527
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0400
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            39047
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         3.75
_exptl_absorpt_coefficient_mu    4.330
_exptl_absorpt_correction_T_max  0.5824
_exptl_absorpt_correction_T_min  0.3126
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bloc
_exptl_crystal_F_000             2030
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.14
_refine_diff_density_max         2.294
_refine_diff_density_min         -1.250
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     988
_refine_ls_number_reflns         12919
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0324
_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^)+(0.0466P)^2^+8.7756P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0777
_refine_ls_wR_factor_ref         0.0853
_reflns_number_gt                10219
_reflns_number_total             12919
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101934t_si_001_4.cif
_cod_data_source_block           7cis
_cod_original_cell_volume        3671.5(6)
_cod_original_formula_sum        'C78.40 H47.80 Cl2.80 F20 N P4 Pd Pt2'
_cod_database_code               4324138