Visible-Light-Sensitized Near-Infrared Luminescence from Rare-Earth Complexes of the 9-Hydroxyphenalen-1-one Ligand
Van Deun, Rik; Fias, Pascal; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen; Inorganic Chemistry 45 (2006) 10416–10418; doi:10.1021/ic0616277

data_4333175
_publ_section_title
;
 Visible-Light-Sensitized Near-Infrared Luminescence from Rare-Earth
 Complexes of the 9-Hydroxyphenalen-1-one Ligand
;
_journal_issue                   26
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10416
_journal_page_last               10418
_journal_paper_doi               10.1021/ic0616277
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C52 H28 O8 Yb, C8 H20 N, C4 H10 O'
_chemical_formula_sum            'C64 H58 N O9 Yb'
_chemical_formula_weight         1158.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   12.0910(3)
_cell_length_b                   12.0910(3)
_cell_length_c                   30.0744(12)
_cell_measurement_temperature    100(2)
_cell_volume                     3807.6(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_publication_material  Platon
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'SMART 6000'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  'crossed Goebel mirrors'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0943
_diffrn_reflns_av_sigmaI/netI    0.0640
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10209
_diffrn_reflns_theta_full        71.37
_diffrn_reflns_theta_max         71.37
_diffrn_reflns_theta_min         4.22
_exptl_absorpt_coefficient_mu    3.916
_exptl_absorpt_correction_T_max  0.556
_exptl_absorpt_correction_T_min  0.519
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   Platon
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1773
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.026
_refine_diff_density_min         -0.664
_refine_diff_density_rms         0.104
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         2747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.970
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0385
_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^)+(0.0538P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
_refine_ls_wR_factor_ref         0.0909
_reflns_number_gt                2481
_reflns_number_total             2747
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0616277sup1.cif
_cod_data_source_block           wg79
_cod_database_code               4333175