Highly emissive platinum(ii) complexes bearing carbene and cyclometalated ligands.
Uesugi, Haruka; Tsukuda, Toshiaki; Takao, Koichiro; Tsubomura, Taro; Dalton transactions (Cambridge, England : 2003) 42 (2013) 7396–7403; doi:10.1039/c3dt32866j

data_7021200
_publ_section_title
;
 Highly emissive platinum(ii) complexes bearing carbene and cyclometalated
 ligands.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7396
_journal_page_last               7403
_journal_paper_doi               10.1039/c3dt32866j
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C45 H41 B Cl3 N5 Pt'
_chemical_formula_sum            'C45 H41 B Cl3 N5 Pt'
_chemical_formula_weight         964.11
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                113.118(7)
_cell_angle_beta                 101.147(6)
_cell_angle_gamma                99.392(6)
_cell_formula_units_Z            2
_cell_length_a                   11.777(3)
_cell_length_b                   14.164(4)
_cell_length_c                   14.389(4)
_cell_measurement_reflns_used    4870
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.10
_cell_measurement_theta_min      3.15
_cell_volume                     2088.4(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.922
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18951
_diffrn_reflns_theta_full        27.29
_diffrn_reflns_theta_max         27.29
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.576
_exptl_absorpt_correction_T_max  0.489
_exptl_absorpt_correction_T_min  0.345
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             960.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         3.280
_refine_diff_density_min         -3.430
_refine_ls_extinction_coef       0.0029(4)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     499
_refine_ls_number_reflns         8663
_refine_ls_number_restraints     33
_refine_ls_R_factor_gt           0.0875
_refine_ls_shift/su_max          0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0334P)^2^+38.1405P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1799
_reflns_number_gt                7810
_reflns_number_total             8663
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c3dt32866j.txt
_cod_data_source_block           PtppyL1
_cod_original_cell_volume        2088.4(11)
_cod_database_code               7021200