Enhanced luminescence properties through heavy ancillary ligands in [Pt(C^N^C)(L)] complexes, L = AsPh3 and SbPh3
Jordan, Rose; Maisuls, Ivan; Nair, Shruti Santosh; Dietzek, Benjamin; Strassert, Cristian Alejandro; Klein, Axel; Dalton Transactions  (2023) –; doi:10.1039/D3DT03225F

data_7714524
_publ_section_title
;
 Enhanced luminescence properties through heavy ancillary ligands in
 [Pt(C^N^C)(L)] complexes, L = AsPh3 and SbPh3
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT03225F
_journal_year                    2023
_chemical_formula_sum            'C35 H26 N Pt Sb'
_chemical_formula_weight         777.41
_chemical_name_common            '[Pt(PhPyPh)SbPh3]'
_chemical_name_systematic        '[Pt(dpp)SbPh3]'
_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
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-04-18 deposited with the CCDC.	2023-11-21 downloaded from the CCDC.
;
_cell_angle_alpha                104.044(3)
_cell_angle_beta                 97.175(3)
_cell_angle_gamma                90.067(2)
_cell_formula_units_Z            4
_cell_length_a                   10.1552(6)
_cell_length_b                   15.5531(9)
_cell_length_c                   17.8316(12)
_cell_measurement_reflns_used    9885
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.08
_cell_measurement_theta_min      2.43
_cell_volume                     2709.4(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker d8 Venture'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0832
_diffrn_reflns_av_unetI/netI     0.0500
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            153953
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.158
_diffrn_reflns_theta_min         2.004
_exptl_absorpt_coefficient_mu    6.180
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.5143
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.906
_exptl_crystal_description       prism
_exptl_crystal_F_000             1488
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: CH2Cl2'
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.020
_refine_diff_density_max         3.746
_refine_diff_density_min         -6.415
_refine_diff_density_rms         0.333
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     667
_refine_ls_number_reflns         15935
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0943
_refine_ls_R_factor_gt           0.0750
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+117.5621P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1514
_refine_ls_wR_factor_ref         0.1606
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12751
_reflns_number_total             15935
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt03225f2.cif
_cod_data_source_block           mo_Jordan_RJ_M_11_0m_a
_cod_database_code               7714524
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.457
_shelx_estimated_absorpt_t_max   0.886
_shelx_res_checksum              70537