Efficient Electroluminescence from New Lanthanide (Eu3+, Sm3+) Complexes
Jiangbo Yu; Liang Zhou; Hongjie Zhang; Youxuan Zheng; Huanrong Li; Ruiping Deng; Zeping Peng; Zhefeng Li; Inorganic Chemistry 44 (2005) 1611–1618; doi:10.1021/ic0485561

data_4308711
_publ_section_title
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Efficient Electroluminescence from New Lanthanide (Eu3+, Sm3+) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1611
_journal_page_last               1618
_journal_paper_doi               10.1021/ic0485561
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C60 H32 F21 N2 O6 Sm'
_chemical_formula_weight         1426.23
_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                76.475(2)
_cell_angle_beta                 86.661(2)
_cell_angle_gamma                88.435(2)
_cell_formula_units_Z            4
_cell_length_a                   11.6777(4)
_cell_length_b                   21.1704(8)
_cell_length_c                   24.3540(8)
_cell_measurement_reflns_used    7500
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      5.0
_cell_volume                     5843.3(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku RAPID'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotation anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0952
_diffrn_reflns_av_sigmaI/netI    0.1689
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            33255
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    1.124
_exptl_absorpt_correction_T_max  1.1263
_exptl_absorpt_correction_T_min  0.8134
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2820
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.651
_refine_diff_density_min         -0.984
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1435
_refine_ls_number_reflns         20434
_refine_ls_number_restraints     381
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1656
_refine_ls_R_factor_gt           0.0775
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0850P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1854
_refine_ls_wR_factor_ref         0.2194
_reflns_number_gt                8703
_reflns_number_total             20434
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0485561si20041221_101125.cif
_cod_data_source_block           n048
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
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_cod_database_code               4308711