An efficient and weak efficiency-roll-off near-infrared (NIR) polymer light-emitting diode (PLED) based on a PVK-supported Zn2±-Yb3±containing metallopolymer
Fu, Guorui; Guan, Jiaqing; Li, Baoning; Liu, Lin; He, Yani; Yu, Chao; Zhang, Zhao; Lü, Xingqiang; Journal of Materials Chemistry C 6 (2018) 4114–; doi:10.1039/C7TC05400A

data_7237052
_publ_section_title
;
 An efficient and weak efficiency-roll-off near-infrared (NIR) polymer
 light-emitting diode (PLED) based on a PVK-supported
 Zn2+--Yb3+-containing metallopolymer
;
_journal_issue                   15
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              4114
_journal_paper_doi               10.1039/C7TC05400A
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'C66 H58 F9 N9 O8 Yb Zn'
_chemical_formula_weight         1514.62
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-12-29 deposited with the CCDC.
2018-03-12 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 102.3530(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.4453(16)
_cell_length_b                   13.4882(9)
_cell_length_c                   41.770(3)
_cell_measurement_temperature    296(2)
_cell_volume                     12903.3(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0626
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_number            36130
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.00
_exptl_absorpt_coefficient_mu    1.901
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6096
_refine_diff_density_max         1.383
_refine_diff_density_min         -0.857
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     837
_refine_ls_number_reflns         13735
_refine_ls_number_restraints     68
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0673P)^2^+16.9307P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1350
_refine_ls_wR_factor_ref         0.1533
_reflns_number_gt                8969
_reflns_number_total             13735
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7tc05400a2.cif
_cod_data_source_block           y
_cod_original_cell_volume        12903.4(15)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7237052