Synthesis and electroluminescent property of novel europium complexes with oxadiazole substituted 1,10-phenanthroline and 2,2′-bipyridine ligands
Chen, Zhuqi; Ding, Fei; Hao, Feng; Guan, Ming; Bian, Zuqiang; Ding, Bei; Huang, Chunhui; New Journal of Chemistry 34 (2010) 487–; doi:10.1039/b9nj00461k

data_7053334
_publ_section_title
;
 Synthesis and electroluminescent property of novel europium complexes
 with oxadiazole substituted 1,10-phenanthroline and
 2,2&#x2032;-bipyridine ligands
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              487
_journal_paper_doi               10.1039/b9nj00461k
_journal_volume                  34
_journal_year                    2010
_chemical_formula_moiety         'C41 H23 F9 Eu N3 O6 S3'
_chemical_formula_sum            'C41 H23 Eu F9 N3 O6 S3'
_chemical_formula_weight         1072.76
_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                103.109(7)
_cell_angle_beta                 98.620(8)
_cell_angle_gamma                90.554(7)
_cell_formula_units_Z            2
_cell_length_a                   10.2037(13)
_cell_length_b                   10.3235(15)
_cell_length_c                   20.243(3)
_cell_measurement_reflns_used    7350
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      2.0
_cell_volume                     2051.2(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear(Rigaku/MSC Inc., 2005)'
_computing_data_reduction        CrystalClear
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Saturn CCD area detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_av_sigmaI/netI    0.0675
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            25837
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         2.02
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.774
_exptl_absorpt_correction_T_max  0.8425
_exptl_absorpt_correction_T_min  0.7893
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1060
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.177
_refine_diff_density_min         -1.566
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       0.0059(4)
_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   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     585
_refine_ls_number_reflns         9717
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0554
_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^)+(0.0453P)^2^+3.7534P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1224
_refine_ls_wR_factor_ref         0.1266
_reflns_number_gt                8827
_reflns_number_total             9717
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b9nj00461k.txt
_cod_data_source_block           shelxl
_cod_original_cell_volume        2051.3(5)
_cod_database_code               7053334