Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers
Jean-François Lemonnier; Laure Guénée; César Beuchat; Tomasz A. Wesolowski; Prasun Mukherjee; David H. Waldeck; Kristy A. Gogick; Stéphane Petoud; Claude Piguet; Journal of the American Chemical Society 133 (2011) 16219–16234; doi:10.1021/ja206806t

data_4106927
_publ_contact_author_address
;Department of inorganic, analytic and applied chemistry 
University of Geneva, Sciences II 
30 quai Ernest-Ansermet 
CH-1211 Gen\`eve 4 
;
_publ_contact_author_email       claude.Piguet@unige.ch
_publ_contact_author_fax         '+41 (0)22 379 68 30 '
_publ_contact_author_name        'Claude Piguet'
_publ_contact_author_phone       '+41 (0)22 379 60 34'
_publ_section_title
;
 Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide
 Oligomers: Selection of Rigid Aromatic Spacers
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16219
_journal_page_last               16234
_journal_paper_doi               10.1021/ja206806t
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C84 H54 Eu2 F36 N10 O14'
_chemical_formula_sum            'C84 H54 Eu2 F36 N10 O14'
_chemical_formula_weight         2415.29
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_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                75.761(5)
_cell_angle_beta                 70.952(5)
_cell_angle_gamma                65.580(4)
_cell_formula_units_Z            1
_cell_length_a                   12.1392(7)
_cell_length_b                   12.7080(7)
_cell_length_c                   16.7807(10)
_cell_measurement_reflns_used    29897
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.58
_cell_measurement_theta_min      1.775
_cell_volume                     2209.4(2)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'Diamond 3 (Crystal Impact)'
_computing_publication_material  Shelxl_ACTA
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 6
_diffrn_measured_fraction_theta_full 0.938
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measurement_device_type  'Stoe Ipds'
_diffrn_measurement_method       \f
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0641
_diffrn_reflns_av_sigmaI/netI    0.0551
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            28515
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.21
_diffrn_reflns_theta_min         1.91
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.553
_exptl_absorpt_correction_T_max  0.9482
_exptl_absorpt_correction_T_min  0.6938
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XRED; Stoe & Cie, 1999'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.815
_exptl_crystal_description       prism
_exptl_crystal_F_000             1190
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.045
_refine_diff_density_max         0.734
_refine_diff_density_min         -1.538
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     661
_refine_ls_number_reflns         11041
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0381
_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^)+(0.0386P)^2^+3.0318P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0784
_refine_ls_wR_factor_ref         0.0830
_reflns_number_gt                9583
_reflns_number_total             11041
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja206806t_si_002_4.cif
_cod_data_source_block           4
_cod_database_code               4106927