Highly Efficient Sensitized Red Emission from Europium (III) in Ir-Eu Bimetallic Complexes by 3MLCT Energy Transfer
Fang-Fang Chen; Zu-Qiang Bian; Zhi-Wei Liu; Dao-Bo Nie; Zhu-Qi Chen; Chun-Hui Huang; Inorganic Chemistry 47 (2008) 2507–2513; doi:10.1021/ic701817n

data_4304328
_publ_section_title
;
Highly Efficient Sensitized Red Emission from Europium (III) in Ir-Eu
Bimetallic Complexes by 3MLCT Energy Transfer
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2507
_journal_page_last               2513
_journal_paper_doi               10.1021/ic701817n
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C127.50 H91.50 Cl3 Eu F27 Ir3 N12 O11.50'
_chemical_formula_sum            'C127.5 H91.5 Cl3 Eu F27 Ir3 N12 O11.5'
_chemical_formula_weight         3323.54
_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                84.32(4)
_cell_angle_beta                 76.71(3)
_cell_angle_gamma                63.39(2)
_cell_formula_units_Z            2
_cell_length_a                   16.153(10)
_cell_length_b                   16.598(12)
_cell_length_c                   28.10(2)
_cell_measurement_reflns_used    23420
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      2.4
_cell_volume                     6555(8)
_computing_cell_refinement       cyrstalclear
_computing_data_collection       cyrstalclear
_computing_data_reduction        cyrstalclear
_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_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  CONFOCAL
_diffrn_radiation_source         'ROTATING ANODE'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.1078
_diffrn_reflns_av_sigmaI/netI    0.1791
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            46076
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.37
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.669
_exptl_absorpt_correction_T_max  0.9302
_exptl_absorpt_correction_T_min  0.8099
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3241
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.154
_refine_diff_density_min         -1.602
_refine_diff_density_rms         0.231
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.182
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1732
_refine_ls_number_reflns         22330
_refine_ls_number_restraints     237
_refine_ls_restrained_S_all      1.179
_refine_ls_R_factor_all          0.1713
_refine_ls_R_factor_gt           0.1203
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0613P)^2^+83.6083P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2222
_refine_ls_wR_factor_ref         0.2597
_reflns_number_gt                14862
_reflns_number_total             22330
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701817n-file002.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' 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 
;
_cod_original_cell_volume        6556(8)
_cod_original_formula_sum        'C127.50 H91.50 Cl3 Eu F27 Ir3 N12 O11.50'
_cod_database_code               4304328