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_7044629
_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            'C43 H Cl N O4 Pt'
_chemical_formula_weight         825.99
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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
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_cell_angle_gamma                90
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_cell_length_a                   22.2262(3)
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_cell_length_c                   24.1653(4)
_cell_measurement_temperature    293(2)
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_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_unetI/netI     0.0396
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
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_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         26.370
_diffrn_reflns_theta_min         3.330
_exptl_absorpt_coefficient_mu    3.826
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_F_000             1572
_exptl_crystal_size_max          0.410
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.013
_refine_diff_density_min         -0.680
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         7698
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0354
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0427P)^2^+1.3574P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0827
_refine_ls_wR_factor_ref         0.0889
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6019
_reflns_number_total             7698
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt03282j2.cif
_cod_data_source_block           0517-ypf-111_sq_d
_cod_original_cell_volume        3776.74(11)
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_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.303
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_shelx_res_checksum              95230