White light-emitting electrochemical cells based on the Langmuir-Blodgett technique.
Fernández-Hernández, Jesús M; De Cola, Luisa; Bolink, Henk J.; Clemente-León, Miguel; Coronado, Eugenio; Forment-Aliaga, Alicia; López-Muñoz, Angel; Repetto, Diego; Langmuir : the ACS journal of surfaces and colloids 30 (2014) 14021–14029; doi:10.1021/la503144v

data_4512331
_publ_section_title
;
 White light-emitting electrochemical cells based on the Langmuir-Blodgett
 technique.
;
_journal_issue                   46
_journal_name_full
'Langmuir : the ACS journal of surfaces and colloids'
_journal_page_first              14021
_journal_page_last               14029
_journal_paper_doi               10.1021/la503144v
_journal_volume                  30
_journal_year                    2014
_chemical_formula_sum            'C48 H53 Cl10 F4 Ir N6'
_chemical_formula_weight         1336.66
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                77.942(4)
_cell_angle_beta                 80.486(4)
_cell_angle_gamma                76.544(4)
_cell_formula_units_Z            2
_cell_length_a                   12.9358(7)
_cell_length_b                   13.5198(7)
_cell_length_c                   16.4264(9)
_cell_measurement_temperature    120(2)
_cell_volume                     2711.7(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.899
_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  0.0425
_diffrn_reflns_av_sigmaI/netI    0.0945
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            49752
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.72
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    3.008
_exptl_absorpt_correction_T_max  0.6446
_exptl_absorpt_correction_T_min  0.5085
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1332
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.467
_refine_diff_density_min         -1.243
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.907
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     659
_refine_ls_number_reflns         17969
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.907
_refine_ls_R_factor_all          0.0680
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0392P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0848
_reflns_number_gt                11963
_reflns_number_total             17969
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            la503144v_si_001.cif
_cod_data_source_block           jm243a
_cod_depositor_comments          'Adding full bibliography for 4512331.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4512331