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_7714522
_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            'C41.5 H30 As Cl1.5 N O0.5 Pt'
_chemical_formula_weight         873.85
_chemical_name_systematic        '[Pt(dba)AsPh3] * 0.5 Et2O * 0.5 CHCl3'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-08-02 deposited with the CCDC.	2023-11-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 118.864(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   27.2312(16)
_cell_length_b                   10.5042(5)
_cell_length_c                   26.597(2)
_cell_measurement_reflns_used    9280
_cell_measurement_temperature    109(2)
_cell_measurement_theta_max      30.45
_cell_measurement_theta_min      2.98
_cell_volume                     6662.7(7)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      109(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            85756
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.516
_diffrn_reflns_theta_min         2.119
_exptl_absorpt_coefficient_mu    5.352
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.4455
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_description       prism
_exptl_crystal_F_000             3412
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Et2O, CHCl3'
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.629
_refine_diff_density_min         -0.665
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       0.000116(13)
_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 2018)'
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         10116
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0199
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0163P)^2^+12.8826P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0454
_refine_ls_wR_factor_ref         0.0464
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9318
_reflns_number_total             10116
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt03225f2.cif
_cod_data_source_block           mo_Jordan_RJ_M_14_R_0ma
_cod_original_cell_volume        6662.6(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C41.50 H30 As Cl1.50 N O0.50 Pt'
_cod_database_code               7714522
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              17869