Electronic and steric impact of bis-NHC ligands on reactions of Pt<sub>3</sub>S<sub>2</sub> cores in trinuclear complexes bearing bis-NHC ligands with various lengths of alkylene bridges.
Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori; Dalton transactions (Cambridge, England : 2003) 50 (2021) 12079–12082; doi:10.1039/d1dt02747f

data_7708128
_publ_section_title
;
 Electronic and steric impact of bis-NHC ligands on reactions of
 Pt<sub>3</sub>S<sub>2</sub> cores in trinuclear complexes bearing bis-NHC
 ligands with various lengths of alkylene bridges.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12079
_journal_page_last               12082
_journal_paper_doi               10.1039/d1dt02747f
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C62 H92 Ag F30 N24 O2 P5 Pt6 S4'
_chemical_formula_sum            'C62 H92 Ag F30 N24 O2 P5 Pt6 S4'
_chemical_formula_weight         3337.04
_chemical_properties_physical    Light-sensitive
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2021-07-09 deposited with the CCDC.	2021-08-23 downloaded from the CCDC.
;
_cell_angle_alpha                66.163(11)
_cell_angle_beta                 71.936(14)
_cell_angle_gamma                73.777(14)
_cell_formula_units_Z            1
_cell_length_a                   13.456(3)
_cell_length_b                   14.916(3)
_cell_length_c                   15.624(3)
_cell_measurement_reflns_used    8093
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_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.01
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_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
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_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      193
_diffrn_detector_area_resol_mean 14.222
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_unetI/netI     0.0720
_diffrn_reflns_Laue_measured_fraction_full 0.957
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_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21981
_diffrn_reflns_point_group_measured_fraction_full 0.957
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        27.475
_diffrn_reflns_theta_max         27.475
_diffrn_reflns_theta_min         3.009
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.187
_exptl_absorpt_correction_T_max  0.727
_exptl_absorpt_correction_T_min  0.550
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.065
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1572.00
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.097
_exptl_crystal_size_min          0.039
_refine_diff_density_max         2.50
_refine_diff_density_min         -3.28
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         11830
_refine_ls_number_restraints     0
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_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0776P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1458
_refine_ls_wR_factor_ref         0.1609
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7725
_reflns_number_total             11830
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            d1dt02747f2.cif
_cod_data_source_block           Pt3-C2-Me-PF6-Ag-2
_cod_depositor_comments          'Adding full bibliography for 7708128.cif.'
_cod_original_cell_volume        2683.8(10)
_cod_database_code               7708128
_shelx_res_checksum              1863
_shelx_hkl_checksum              68151