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_7703910
_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         'C53 H31 F10 N3 P2 Pt2 S, 1.25(C H2 Cl2)'
_chemical_formula_sum            'C54.25 H33.5 Cl2.5 F10 N3 P2 Pt2 S'
_chemical_formula_weight         1490.14
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 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                 95.9198(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.47577(14)
_cell_length_b                   18.4399(2)
_cell_length_c                   26.7555(3)
_cell_measurement_reflns_used    25691
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.1800
_cell_measurement_theta_min      4.4040
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_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    shelxs
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.894
_diffrn_measurement_details
;
  1 omega  -24.00   24.60   0.6000   22.5000
omega____ theta____ kappa____ phi______ frames
    -      -15.9305  -99.0000 -120.0000 81

  2 omega  -19.00   27.80   0.6000   22.5000
omega____ theta____ kappa____ phi______ frames
    -      -15.9305 -105.0000  101.0000 78

  3 omega  -53.00   89.20   0.6000   22.5000
omega____ theta____ kappa____ phi______ frames
    -       18.1180    0.0000 -180.0000 237

  4 omega   34.00   91.60   0.6000   22.5000
omega____ theta____ kappa____ phi______ frames
    -       18.1180  179.0000   90.0000 96

  5 omega  -86.00    7.00   0.6000   22.5000
omega____ theta____ kappa____ phi______ frames
    -      -15.9305  -37.0000 -180.0000 155

  6 omega  -84.00  -42.60   0.6000   22.5000
omega____ theta____ kappa____ phi______ frames
    -      -15.9305  -57.0000  -30.0000 69

  7 omega  -49.00   36.80   0.6000   22.5000
omega____ theta____ kappa____ phi______ frames
    -       18.1180  -57.0000  120.0000 143

;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0114710000
_diffrn_orient_matrix_UB_12      0.0198750000
_diffrn_orient_matrix_UB_13      0.0227190000
_diffrn_orient_matrix_UB_21      -0.0283657000
_diffrn_orient_matrix_UB_22      0.0311292000
_diffrn_orient_matrix_UB_23      -0.0121250000
_diffrn_orient_matrix_UB_31      -0.0608131000
_diffrn_orient_matrix_UB_32      -0.0107721000
_diffrn_orient_matrix_UB_33      0.0068502000
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_unetI/netI     0.0212
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.894
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            56339
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.894
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.275
_diffrn_reflns_theta_min         4.379
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    5.747
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.36280
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'translucent pale yellow'
_exptl_crystal_density_diffrn    1.925
_exptl_crystal_description       prism
_exptl_crystal_F_000             2858
_exptl_crystal_size_max          0.4100
_exptl_crystal_size_mid          0.2800
_exptl_crystal_size_min          0.2700
_refine_diff_density_max         1.985
_refine_diff_density_min         -1.335
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     688
_refine_ls_number_reflns         12549
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0266
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0355P)^2^+16.3789P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0721
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11684
_reflns_number_total             12549
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00712a2.cif
_cod_data_source_block           2_amt916
_cod_depositor_comments
'Adding full bibliography for 7703910--7703914.cif.'
_cod_original_cell_volume        5140.85(11)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C54.25 H33.50 Cl2.50 F10 N3 P2 Pt2 S'
_cod_database_code               7703910
_shelxl_version_number           2013-4
_shelx_res_checksum              68401