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_4325374
_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            'C51 H32 Eu F9 O6 S6 n2'
_chemical_formula_weight         1284.11
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 106.842(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.363(16)
_cell_length_b                   10.536(5)
_cell_length_c                   30.808(13)
_cell_measurement_temperature    293(2)
_cell_volume                     11608(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.2279
_diffrn_reflns_av_sigmaI/netI    0.1602
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16782
_diffrn_reflns_theta_full        17.22
_diffrn_reflns_theta_max         17.22
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    1.371
_exptl_absorpt_correction_T_max  0.9864
_exptl_absorpt_correction_T_min  0.7616
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_F_000             5120
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.395
_refine_diff_density_min         -0.991
_refine_diff_density_rms         0.218
_refine_ls_extinction_coef       0.0108(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   1.308
_refine_ls_hydrogen_treatment    'riding mode'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         3500
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.301
_refine_ls_R_factor_all          0.1961
_refine_ls_R_factor_gt           0.1658
_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^)+(0.1494P)^2^+540.4252P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3633
_refine_ls_wR_factor_ref         0.3810
_reflns_number_gt                2672
_reflns_number_total             3500
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1021164_si_004.cif
_cod_data_source_block           eu-phen
_cod_original_formula_sum        'C51 H32 Eu F9 n2 O6 S6'
_cod_database_code               4325374