Luminescence enhancement of the Tb(III) ion with the thenoyltrifluoroacetonate ligand acting as an efficient sensitizer
Teotonio, Ercules E.S.; Silva, Francisco A.; Pereira, Dariston K.S.; Santo, Lidiaine M.; Brito, Hermi F.; Faustino, Wagner M.; Felinto, Maria Cláudia F.C.; Santos, Regina Helena; Moreno-Fuquen, Rodolfo; Kennedy, Alan R.; Gilmore, Denise; Inorganic Chemistry Communications 13 (2010) 1391–1395; doi:10.1016/j.inoche.2010.07.043

data_4350815
_publ_section_title
;
 Luminescence enhancement of the Tb(III) ion with the
 thenoyltrifluoroacetonate ligand acting as an efficient sensitizer
;
_journal_issue                   12
_journal_name_full               'Inorganic Chemistry Communications'
_journal_page_first              1391
_journal_page_last               1395
_journal_paper_doi               10.1016/j.inoche.2010.07.043
_journal_volume                  13
_journal_year                    2010
_chemical_formula_moiety         'C52 H38 F6 N O9 P2 S2 Tb'
_chemical_formula_sum            'C52 H38 F6 N O9 P2 S2 Tb'
_chemical_formula_weight         1219.81
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_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                102.481(5)
_cell_angle_beta                 102.285(6)
_cell_angle_gamma                117.618(6)
_cell_formula_units_Z            1
_cell_length_a                   10.9224(7)
_cell_length_b                   11.6539(7)
_cell_length_c                   12.4000(8)
_cell_measurement_reflns_used    6244
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      29.69
_cell_measurement_theta_min      2.74
_cell_volume                     1273.00(19)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
;
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELX
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.861
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S'
_diffrn_measurement_method       'omega scans'
_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  0.0340
_diffrn_reflns_av_sigmaI/netI    0.1147
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12073
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         29.75
_diffrn_reflns_theta_min         2.75
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.612
_exptl_absorpt_correction_T_max  0.883
_exptl_absorpt_correction_T_min  0.735
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
Analytical numeric absorption correction using a multifaceted 
crystal model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.591
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'cut chunk'
_exptl_crystal_F_000             610
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.977
_refine_diff_density_min         -1.062
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.027(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.888
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     672
_refine_ls_number_reflns         9580
_refine_ls_number_restraints     141
_refine_ls_restrained_S_all      0.884
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0421
_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^)+(0.0256P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0676
_refine_ls_wR_factor_ref         0.0709
_reflns_number_gt                7844
_reflns_number_total             9580
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            Inorg-Chem-Commun-2010-13-1391.CIF
_cod_data_source_block           I
_cod_database_code               4350815