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_1575444
_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         'C20 H27 Cl N P Pt'
_chemical_formula_sum            'C20 H27 Cl N P Pt'
_chemical_formula_weight         542.93
_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                 97.6770(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.06469(10)
_cell_length_b                   14.82994(18)
_cell_length_c                   18.6508(2)
_cell_measurement_reflns_used    39184
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.9920
_cell_measurement_theta_min      2.9250
_cell_volume                     1936.51(4)
_computing_cell_refinement       'CrysAlisPro 1.171.44.97a (Rigaku OD, 2025)'
_computing_data_collection       'CrysAlisPro 1.171.44.97a (Rigaku OD, 2025)'
_computing_data_reduction        'CrysAlisPro 1.171.44.97a (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 0.999
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Rigaku XtaLAB Pro: Kappa dual offset/far'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_unetI/netI     0.0229
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            66327
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.944
_diffrn_reflns_theta_min         2.747
_diffrn_source                   'microfocus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    7.468
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.274
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.44.97a (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    1.862
_exptl_crystal_description       prism
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.188
_exptl_crystal_size_mid          0.138
_exptl_crystal_size_min          0.090
_refine_diff_density_max         1.439
_refine_diff_density_min         -0.890
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       0.00097(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick, 2015)'
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     224
_refine_ls_number_reflns         7526
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0203
_refine_ls_R_factor_gt           0.0173
_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^)+(0.0101P)^2^+1.9057P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0365
_refine_ls_wR_factor_ref         0.0370
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6955
_reflns_number_total             7526
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01800e2.cif
_cod_data_source_block           rjk1469b
_cod_depositor_comments
'Adding full bibliography for 1575440--1575446.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1575444
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.334
_shelx_estimated_absorpt_t_max   0.553
_shelx_res_checksum              92692
_shelx_hkl_checksum              37654