Synthesis, structures, photo- and electro-luminescent properties of novel oxadiazole-functionlized europium(iii) benzamide complexes
Zhang, Fuli; Hou, Yanhui; Du, Chenxia; Wu, Yangjie; Dalton Transactions  (2009) 7359–7367; doi:10.1039/b906470b

data_7002218
_publ_section_title
;
 Synthesis, structures, photo- and electro-luminescent properties of
 novel oxadiazole-functionlized europium(iii) benzamide complexes
;
_journal_issue                   36
_journal_name_full               'Dalton Transactions'
_journal_page_first              7359
_journal_page_last               7367
_journal_paper_doi               10.1039/b906470b
_journal_year                    2009
_chemical_formula_sum            'C122 H84 Cl24 Eu2 N26 Na2 O16'
_chemical_formula_weight         3370.85
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_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                61.65(3)
_cell_angle_beta                 64.05(3)
_cell_angle_gamma                72.30(3)
_cell_formula_units_Z            1
_cell_length_a                   15.772(3)
_cell_length_b                   16.611(3)
_cell_length_c                   17.450(4)
_cell_measurement_reflns_used    221
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.5
_cell_volume                     3590.9(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.862
_diffrn_measurement_device_type  Rigaku-Raxis-IV
_diffrn_measurement_method       'Oscillation frames'
_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  0.0676
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            46267
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    1.387
_exptl_absorpt_correction_T_max  0.8738
_exptl_absorpt_correction_T_min  0.7689
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1682
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.531
_refine_diff_density_min         -1.408
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       0.0037(2)
_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   1.033
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     849
_refine_ls_number_reflns         16267
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0617
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.012
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1120P)^2^+7.3000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1687
_refine_ls_wR_factor_ref         0.1742
_reflns_number_gt                13074
_reflns_number_total             16267
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b906470b.txt
_cod_data_source_block           p-1
_cod_original_cell_volume        3590.8(18)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7002218