Thiophene Based Europium β-Diketonate Complexes: Effect of the Ligand Structure on the Emission Quantum yield
Christelle Freund; William Porzio; Umberto Giovanella; Francesco Vignali; Mariacecilia Pasini; Silvia Destri; Agnieszka Mech; Sebastiano Di Pietro; Lorenzo Di Bari; Placido Mineo; Inorganic Chemistry 50 (2011) 5417–5429; doi:10.1021/ic1021164

data_4325373
_publ_section_title
;
 Thiophene Based Europium \b-Diketonate Complexes: Effect of the Ligand
 Structure on the Emission Quantum yield
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5417
_journal_page_last               5429
_journal_paper_doi               10.1021/ic1021164
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C53 H45 Eu O8 S6 n2'
_chemical_formula_weight         1182.23
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 93.89(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.039(8)
_cell_length_b                   30.28(2)
_cell_length_c                   14.916(11)
_cell_measurement_temperature    298(2)
_cell_volume                     5425(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.1267
_diffrn_reflns_av_sigmaI/netI    0.1112
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            42190
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    1.440
_exptl_absorpt_correction_T_max  0.7616
_exptl_absorpt_correction_T_min  0.5330
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_F_000             2400
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.752
_refine_diff_density_min         -0.538
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       0.00028(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    'riding mode'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     632
_refine_ls_number_reflns         9524
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      0.967
_refine_ls_R_factor_all          0.1558
_refine_ls_R_factor_gt           0.0582
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0724P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1220
_refine_ls_wR_factor_ref         0.1595
_reflns_number_gt                4495
_reflns_number_total             9524
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1021164_si_003.cif
_cod_data_source_block           eut2acpm
_cod_original_formula_sum        'C53 H45 Eu n2 O8 S6'
_cod_database_code               4325373