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_7703912
_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 I N4 P2 Pt2, C16 H36 N'
_chemical_formula_sum            'C65 H64 F10 I N5 P2 Pt2'
_chemical_formula_weight         1684.23
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -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                108.174(5)
_cell_angle_beta                 103.830(4)
_cell_angle_gamma                90.839(4)
_cell_formula_units_Z            2
_cell_length_a                   10.3815(5)
_cell_length_b                   14.8245(8)
_cell_length_c                   21.6355(12)
_cell_measurement_reflns_used    6296
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.7010
_cell_measurement_theta_min      3.1050
_cell_volume                     3057.5(3)
_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 0.828
_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     -4.00  24.00   1.00   75.00    --  -11.85 -99.00  90.00   28
  2  \w    -82.00 -57.00   1.00   75.00    --  -11.85-179.00  30.00   25
  3  \w    -29.00  41.00   1.00   75.00    --  -11.85  57.00 -60.00   70
  4  \w     -1.00  81.00   1.00   75.00    --   14.12  57.00-180.00   82
  5  \w     -2.00  57.00   1.00   75.00    --   14.12  57.00 -90.00   59
  6  \w     14.00  78.00   1.00   75.00    --   14.12  57.00  90.00   64
  7  \w      3.00  81.00   1.00   75.00    --   14.12  57.00  30.00   78
;
_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      -0.0142717000
_diffrn_orient_matrix_UB_12      0.0352133000
_diffrn_orient_matrix_UB_13      0.0276876000
_diffrn_orient_matrix_UB_21      -0.0374144000
_diffrn_orient_matrix_UB_22      0.0221646000
_diffrn_orient_matrix_UB_23      -0.0222334000
_diffrn_orient_matrix_UB_31      -0.0582636000
_diffrn_orient_matrix_UB_32      -0.0287899000
_diffrn_orient_matrix_UB_33      -0.0036162000
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_av_unetI/netI     0.0986
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.828
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            26124
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.828
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.255
_diffrn_reflns_theta_min         2.749
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    5.204
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.45211
_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            'pale green'
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_description       needle
_exptl_crystal_F_000             1636
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         4.286
_refine_diff_density_min         -3.078
_refine_diff_density_rms         0.284
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     766
_refine_ls_number_reflns         12514
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.1172
_refine_ls_R_factor_gt           0.0826
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0495P)^2^+107.9864P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1838
_refine_ls_wR_factor_ref         0.2029
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9053
_reflns_number_total             12514
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00712a2.cif
_cod_data_source_block           10_AMT1146
_cod_depositor_comments
'Adding full bibliography for 7703910--7703914.cif.'
_cod_database_code               7703912
_shelxl_version_number           2013-4
_shelx_res_checksum              80013