Stable mixed-valence diphenylphosphanido bridged platinum(ii)-platinum(iv) complexes.
Fortuño, Consuelo; Martín, Antonio; Mastrorilli, Piero; Latronico, Mario; Petrelli, Valentina; Todisco, Stefano; Dalton transactions (Cambridge, England : 2003) 49 (2020) 4935–4955; doi:10.1039/d0dt00712a

data_7703911
_publ_section_title
;
 Stable mixed-valence diphenylphosphanido bridged
 platinum(ii)-platinum(iv) complexes.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4935
_journal_page_last               4955
_journal_paper_doi               10.1039/d0dt00712a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C49 H28 F10 N O P2 Pt2, C16 H36 N'
_chemical_formula_sum            'C65 H64 F10 N2 O P2 Pt2'
_chemical_formula_weight         1531.30
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2020-02-06 deposited with the CCDC.	2020-03-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.7564(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.6820(2)
_cell_length_b                   16.6776(2)
_cell_length_c                   24.2836(3)
_cell_measurement_reflns_used    21234
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.1370
_cell_measurement_theta_min      2.8600
_cell_volume                     5891.69(13)
_computing_cell_refinement       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.860
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w     34.00  86.00   1.00   13.00    --   14.12 179.00 120.00   52
  2  \w    -55.00  83.00   1.00   13.00    --   14.12   0.00 -60.00  138
  3  \w    -55.00  33.00   1.00   13.00    --   14.12 -37.00  60.00   88
  4  \w    -25.00  27.00   1.00   13.00    --  -11.85 -99.00  30.00   52
  5  \w    -25.00   0.00   1.00   13.00    --  -11.85 -99.00 -90.00   25
  6  \w    -39.00  56.00   1.00   13.00    --  -11.85  77.00-150.00   95
;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0349248000
_diffrn_orient_matrix_UB_12      0.0219834000
_diffrn_orient_matrix_UB_13      -0.0108271000
_diffrn_orient_matrix_UB_21      -0.0306942000
_diffrn_orient_matrix_UB_22      0.0081055000
_diffrn_orient_matrix_UB_23      -0.0245045000
_diffrn_orient_matrix_UB_31      -0.0146288000
_diffrn_orient_matrix_UB_32      0.0355073000
_diffrn_orient_matrix_UB_33      0.0123029000
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_unetI/netI     0.0306
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.860
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            57979
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.860
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.361
_diffrn_reflns_theta_min         2.816
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    4.874
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.27610
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear pale green'
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_description       plate
_exptl_crystal_F_000             3008
_exptl_crystal_size_max          0.490
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.683
_refine_diff_density_min         -0.856
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         12680
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0231
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0201P)^2^+4.3917P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0463
_refine_ls_wR_factor_ref         0.0486
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11158
_reflns_number_total             12680
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00712a2.cif
_cod_data_source_block           8_AMT1144
_cod_depositor_comments
'Adding full bibliography for 7703910--7703914.cif.'
_cod_original_cell_volume        5891.71(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7703911
_shelxl_version_number           2013-4
_shelx_res_checksum              76571