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_7703913
_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         'C52 H34 F10 N2 P2 Pt2 S2, 2(C H2 Cl2)'
_chemical_formula_sum            'C54 H38 Cl4 F10 N2 P2 Pt2 S2'
_chemical_formula_weight         1562.90
_chemical_name_common            'CFT 128.1 CH2Cl2/hex'
_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                 97.5230(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9852(9)
_cell_length_b                   24.082(2)
_cell_length_c                   20.5966(17)
_cell_measurement_reflns_used    9807
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.8847
_cell_measurement_theta_min      2.5217
_cell_volume                     5401.8(8)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.923
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_unetI/netI     0.0264
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.923
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            50792
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.923
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         31.096
_diffrn_reflns_theta_min         1.307
_exptl_absorpt_coefficient_mu    5.583
_exptl_absorpt_correction_T_max  0.4335
_exptl_absorpt_correction_T_min  0.3531
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.922
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3008
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.338
_refine_diff_density_min         -1.453
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     715
_refine_ls_number_reflns         16002
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0232
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0214P)^2^+9.8809P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0505
_refine_ls_wR_factor_ref         0.0525
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14119
_reflns_number_total             16002
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00712a2.cif
_cod_data_source_block           4_AMT1181
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7703910--7703914.cif.
;
_cod_original_cell_volume        5401.9(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7703913
_shelx_estimated_absorpt_t_min   0.253
_shelx_estimated_absorpt_t_max   0.433
_shelxl_version_number           2013-4
_shelx_res_checksum              7939