d →f Energy Transfer in a Series of IrIII/EuIII Dyads: Energy-Transfer Mechanisms and White-Light Emission
Daniel Sykes; Ian S. Tidmarsh; Andrea Barbieri; Igor V. Sazanovich; Julia A. Weinstein; Michael D. Ward; Inorganic Chemistry 50 (2011) 11323–11339; doi:10.1021/ic2007759

data_4326819
_publ_contact_author
; 
        Prof. Mike Ward
        Department of Chemistry
        University of Sheffield
        SHEFFIELD
        S3 7HF
;
_publ_contact_author_email       m.d.ward@sheffield.ac.uk
_publ_contact_author_fax         '0114 2229346'
_publ_section_title
;
 d \\rightarrow f Energy Transfer in a Series of IrIII/EuIII Dyads:
 Energy-Transfer Mechanisms and White-Light Emission
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11323
_journal_page_last               11339
_journal_paper_doi               10.1021/ic2007759
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C47 H34 Cl2 F4 Ir N9 O3'
_chemical_formula_weight         1111.93
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.2697(7)
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_cell_length_c                   18.2126(5)
_cell_measurement_reflns_used    9311
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.67
_cell_measurement_theta_min      2.30
_cell_volume                     4365.3(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0960
_diffrn_reflns_av_sigmaI/netI    0.0537
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            63494
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    3.253
_exptl_absorpt_correction_T_max  0.9378
_exptl_absorpt_correction_T_min  0.4420
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2200
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_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.777
_refine_diff_density_min         -1.588
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         7439
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_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0935
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_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^)+(0.0302P)^2^+43.2971P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.1179
_reflns_number_gt                4233
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2007759_si_003_3.cif
_cod_data_source_block           imw1480p21c
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_database_code               4326819