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_4326822
_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            'C49 H37 Cl2 F12 Ir N8 O0.5 P'
_chemical_formula_weight         1267.94
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.288(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.0934(18)
_cell_length_b                   13.1480(12)
_cell_length_c                   21.542(2)
_cell_measurement_reflns_used    3579
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      19.09
_cell_measurement_theta_min      2.41
_cell_volume                     4929.2(8)
_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  0.1622
_diffrn_reflns_av_sigmaI/netI    0.1003
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            53842
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         1.20
_exptl_absorpt_coefficient_mu    2.941
_exptl_absorpt_correction_T_max  0.7192
_exptl_absorpt_correction_T_min  0.5908
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_description       Needle
_exptl_crystal_F_000             2500
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.596
_refine_diff_density_min         -2.738
_refine_diff_density_rms         0.254
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     665
_refine_ls_number_reflns         8416
_refine_ls_number_restraints     578
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.1257
_refine_ls_R_factor_gt           0.0716
_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^)+(0.1202P)^2^+36.2809P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1811
_refine_ls_wR_factor_ref         0.2218
_reflns_number_gt                5405
_reflns_number_total             8416
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2007759_si_003_6.cif
_cod_data_source_block           imw1527p21n
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_original_formula_sum        'C49 H37 Cl2 F12 Ir N8 O0.50 P'
_cod_database_code               4326822