Synthesis of a series of PNC pincer ligand-supported Pt complexes, and an initial exploration of their reactivity.
Losev, Mikhail A.; Yessengazin, Azamat; Fayzullin, Robert R.; Khaskin, Eugene; Dalton transactions (Cambridge, England : 2003) 54 (2025) 13712–13721; doi:10.1039/d5dt01800e

data_1575443
_publ_section_title
;
 Synthesis of a series of PNC pincer ligand-supported Pt complexes, and an
 initial exploration of their reactivity.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13712
_journal_page_last               13721
_journal_paper_doi               10.1039/d5dt01800e
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C22 H33 N O P Pt S, B F4, C2 H6 O S'
_chemical_formula_sum            'C24 H39 B F4 N O2 P Pt S2'
_chemical_formula_weight         750.55
_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-2018/3
_audit_update_record
;
2025-03-17 deposited with the CCDC.	2025-08-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.7853(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.13135(9)
_cell_length_b                   20.20820(14)
_cell_length_c                   11.30604(8)
_cell_measurement_reflns_used    32296
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      79.5640
_cell_measurement_theta_min      3.6050
_cell_volume                     2804.92(4)
_computing_cell_refinement       'CrysAlisPro 1.171.44.98a (Rigaku OD, 2025)'
_computing_data_collection       'CrysAlisPro 1.171.44.98a (Rigaku OD, 2025)'
_computing_data_reduction        'CrysAlisPro 1.171.44.98a (Rigaku OD, 2025)'
_computing_molecular_graphics
;
WinGX (Farrugia, 2012); ORTEP-3 (Farrugia, 2012);
PLATON (Spek, 2009); Olex2 (Dolomanov et al., 2009)
;
_computing_publication_material
;
WinGX (Farrugia, 2012); ORTEP-3 (Farrugia, 2012);
PLATON (Spek, 2009); Olex2 (Dolomanov et al., 2009)
;
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku XtaLAB Pro: Kappa dual offset/far'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_unetI/netI     0.0243
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            44591
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         79.723
_diffrn_reflns_theta_min         4.214
_diffrn_source                   'microfocus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    11.725
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.468
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.44.98a (Rigaku Oxford Diffraction, 2025).
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model. Empirical absorption correction using
spherical harmonics, frame scaling and detector area scaling,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.777
_exptl_crystal_description       prism
_exptl_crystal_F_000             1488
_exptl_crystal_size_max          0.176
_exptl_crystal_size_mid          0.036
_exptl_crystal_size_min          0.018
_refine_diff_density_max         1.545
_refine_diff_density_min         -1.731
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         6028
_refine_ls_number_restraints     436
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0292
_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^)+(0.0472P)^2^+5.7817P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0784
_refine_ls_wR_factor_ref         0.0793
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5819
_reflns_number_total             6028
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01800e2.cif
_cod_data_source_block           rjk1796
_cod_depositor_comments
'Adding full bibliography for 1575440--1575446.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1575443
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.232
_shelx_estimated_absorpt_t_max   0.817
_shelx_res_checksum              49192
_shelx_hkl_checksum              11280