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_4325372
_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            'C72 H34 Br6 Eu2 F18 O12 S6 n4'
_chemical_formula_weight         2464.77
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_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                95.118(3)
_cell_angle_beta                 95.479(3)
_cell_angle_gamma                98.792(3)
_cell_formula_units_Z            1
_cell_length_a                   9.8037(14)
_cell_length_b                   13.673(2)
_cell_length_c                   16.067(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2106.9(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0415
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20772
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    4.568
_exptl_absorpt_correction_T_max  0.4773
_exptl_absorpt_correction_T_min  0.2385
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_density_diffrn    1.943
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.770
_refine_diff_density_min         -1.092
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    'riding mode'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         7406
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0576
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1128P)^2^+2.5642P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1562
_refine_ls_wR_factor_ref         0.1755
_reflns_number_gt                5710
_reflns_number_total             7406
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1021164_si_002.cif
_cod_data_source_block           eubrac1mu
_cod_original_formula_sum        'C72 H34 Br6 Eu2 F18 n4 O12 S6'
_cod_database_code               4325372