Dual Phosphorescent Emission of Dinuclear Platinum (II) Complexes Incorporating Cyclometallating Pyrenyl-Dipyrdine-Based Ligands and Materials Application in Near-Infrared Solution-Processed Polymer Light-Emitting Diodes
Liu, Yu; Hao, Zhaoran; Meng, Fanyuan; Wang, Pu; Wang, Yafei; Tan, Hua; Pei, Yong; Su, Shi-Jian; Dalton Transactions  (2017) –; doi:10.1039/C7DT03282J

data_7044630
_publ_section_title
;
 Dual Phosphorescent Emission of Dinuclear Platinum (II) Complexes
 Incorporating Cyclometallating Pyrenyl-Dipyrdine-Based Ligands and
 Materials Application in Near-Infrared Solution-Processed Polymer
 Light-Emitting Diodes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C7DT03282J
_journal_year                    2017
_chemical_formula_sum            'C52 H0.12 N2 O4 Pt2'
_chemical_formula_weight         1106.83
_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-10-16 deposited with the CCDC.
2017-11-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 129.261(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   31.0858(8)
_cell_length_b                   18.0296(3)
_cell_length_c                   21.7917(5)
_cell_measurement_temperature    293(2)
_cell_volume                     9456.5(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_unetI/netI     0.0414
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            38767
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_min         3.352
_exptl_absorpt_coefficient_mu    5.953
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_F_000             4112
_exptl_crystal_size_max          0.410
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.291
_refine_diff_density_min         -0.804
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     556
_refine_ls_number_reflns         9650
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0376
_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^)+(0.0416P)^2^+12.4890P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0837
_refine_ls_wR_factor_ref         0.0942
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7312
_reflns_number_total             9650
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt03282j2.cif
_cod_data_source_block           0523-ypf-5
_cod_original_cell_volume        9456.5(4)
_cod_database_code               7044630
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.194
_shelx_estimated_absorpt_t_max   0.535
_shelx_res_checksum              66236