Phosphorescent cyclometalated platinum(II) complexes with phenyldiazine N^C ligands.
Hruzd, Mariia; Kahlal, Samia; le Poul, Nicolas; Wojcik, Laurianne; Cordier, Marie; Saillard, Jean-Yves; Rodríguez-López, Julián; Robin-le Guen, Françoise; Gauthier, Sébastien; Achelle, Sylvain; Dalton transactions (Cambridge, England : 2003) 52 (2023) 1927–1938; doi:10.1039/d2dt03690h

data_7712102
_publ_section_title
;
 Phosphorescent cyclometalated platinum(II) complexes with phenyldiazine
 N^C ligands.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1927
_journal_page_last               1938
_journal_paper_doi               10.1039/d2dt03690h
_journal_volume                  52
_journal_year                    2023
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C34 H37 Cl N4 O Pt'
_chemical_formula_sum            'C34 H37 Cl N4 O Pt'
_chemical_formula_weight         748.21
_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_update_record
;
2022-10-06 deposited with the CCDC.	2023-01-12 downloaded from the CCDC.
;
_cell_angle_alpha                98.163(5)
_cell_angle_beta                 104.652(4)
_cell_angle_gamma                101.634(5)
_cell_formula_units_Z            2
_cell_length_a                   9.0087(9)
_cell_length_b                   10.5776(12)
_cell_length_c                   17.4264(19)
_cell_measurement_reflns_used    9997
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.4736
_cell_measurement_theta_min      2.3690
_cell_measurement_wavelength     0.710730
_cell_volume                     1540.6(3)
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_collection       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'SXGRAPH (Farrugia, 1999), Mercury (CSD, 2016)'
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2018)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (G. Sheldrick, 2015)'
_diffrn_ambient_temperature      150
_diffrn_detector                 CMOS-PHOTON70
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20079
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.475
_diffrn_reflns_theta_min         2.132
_exptl_absorpt_coefficient_mu    4.674
_exptl_absorpt_correction_T_max  0.545
_exptl_absorpt_correction_T_min  0.269
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_description       prism
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.420
_exptl_crystal_size_min          0.130
_refine_diff_density_max         1.873
_refine_diff_density_min         -0.993
_refine_diff_density_rms         0.232
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         6996
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0299
_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^)+(0.0373P)^2^+0.2767P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0742
_refine_ls_wR_factor_ref         0.0753
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6467
_reflns_number_total             6996
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d2dt03690h2.cif
_cod_data_source_block           HM244
_cod_depositor_comments
'Adding full bibliography for 7712102--7712104.cif.'
_cod_database_code               7712102
_shelx_res_checksum              70645
_shelx_hkl_checksum              67381