Green-yellow emitting hybrid light emitting electrochemical cell
Di Marcantonio, M.; Namanga, J. E.; Smetana, V.; Gerlitzki, N.; Vollkommer, F.; Mudring, A.-V.; Bacher, G.; Nannen, E.; Journal of Materials Chemistry C 5 (2017) 12062–; doi:10.1039/C7TC02976D

data_7236879
_publ_section_title
;
 Green-yellow emitting hybrid light emitting electrochemical cell
;
_journal_issue                   46
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              12062
_journal_paper_doi               10.1039/C7TC02976D
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C38 F8 Ir N4 P'
_chemical_formula_weight         887.59
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2017-09-22 deposited with the CCDC.
2017-11-15 downloaded from the CCDC.
;
_cell_angle_alpha                109.173(6)
_cell_angle_beta                 103.075(6)
_cell_angle_gamma                94.939(7)
_cell_formula_units_Z            2
_cell_length_a                   9.5928(10)
_cell_length_b                   13.4434(13)
_cell_length_c                   14.3298(14)
_cell_measurement_reflns_used    20717
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.822
_cell_measurement_theta_min      2.213
_cell_volume                     1674.2(3)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker, Venture'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0852
_diffrn_reflns_av_unetI/netI     0.0790
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20717
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        24.822
_diffrn_reflns_theta_max         24.822
_diffrn_reflns_theta_min         2.213
_exptl_absorpt_coefficient_mu    4.114
_exptl_absorpt_correction_T_max  0.9
_exptl_absorpt_correction_T_min  0.8
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_description       'irregular fragment'
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         10.476
_refine_diff_density_min         -2.208
_refine_diff_density_rms         0.496
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.466
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         5723
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.468
_refine_ls_R_factor_all          0.1434
_refine_ls_R_factor_gt           0.1244
_refine_ls_shift/su_max          0.048
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3307
_refine_ls_wR_factor_ref         0.3447
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4749
_reflns_number_total             5723
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7tc02976d2.cif
_cod_data_source_block           '[Ir(4Fppy)2(pbpy)][PF6]'
_cod_database_code               7236879
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              24839