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_4326818
_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 H32 Cl3 F6 Ir N9 O3.5'
_chemical_formula_weight         1191.37
_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                105.895(2)
_cell_angle_beta                 110.582(2)
_cell_angle_gamma                106.298(2)
_cell_formula_units_Z            4
_cell_length_a                   14.2790(19)
_cell_length_b                   19.232(4)
_cell_length_c                   19.724(3)
_cell_measurement_reflns_used    8047
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.52
_cell_measurement_theta_min      2.37
_cell_volume                     4429.0(13)
_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 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.0840
_diffrn_reflns_av_sigmaI/netI    0.0967
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            66468
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    3.278
_exptl_absorpt_correction_T_max  0.9225
_exptl_absorpt_correction_T_min  0.3265
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.787
_exptl_crystal_description       Needle
_exptl_crystal_F_000             2348
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.813
_refine_diff_density_min         -2.080
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1192
_refine_ls_number_reflns         19972
_refine_ls_number_restraints     181
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.1128
_refine_ls_R_factor_gt           0.0574
_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^)+(0.0701P)^2^+10.8411P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1314
_refine_ls_wR_factor_ref         0.1590
_reflns_number_gt                12390
_reflns_number_total             19972
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2007759_si_003_2.cif
_cod_data_source_block           imw1473p-1
_cod_original_cell_volume        4428.8(13)
_cod_original_formula_sum        'C47 H32 Cl3 F6 Ir N9 O3.50'
_cod_database_code               4326818