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_4106925
_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         'C82 H50 F36 N10 O12 Y2'
_chemical_formula_sum            'C82 H50 F36 N10 O12 Y2'
_chemical_formula_weight         2229.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
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_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 106.094(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.076(3)
_cell_length_b                   15.3146(9)
_cell_length_c                   23.392(2)
_cell_measurement_reflns_used    17160
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      28.305
_cell_measurement_theta_min      1.495
_cell_volume                     10696.3(16)
_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 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'STOE IPDS 2'
_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  0.0774
_diffrn_reflns_av_sigmaI/netI    0.0801
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            38008
_diffrn_reflns_theta_full        28.03
_diffrn_reflns_theta_max         28.03
_diffrn_reflns_theta_min         1.49
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.197
_exptl_absorpt_correction_T_max  0.8585
_exptl_absorpt_correction_T_min  0.7591
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XRED; Stoe & Cie, 1999'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_description       prism
_exptl_crystal_F_000             4440
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_platon_squeeze_details
;
;
_refine_diff_density_max         0.886
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     584
_refine_ls_number_reflns         12820
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.315
_refine_ls_R_factor_all          0.1461
_refine_ls_R_factor_gt           0.0923
_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^)+(0.0800P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2106
_refine_ls_wR_factor_ref         0.2267
_reflns_number_gt                6761
_reflns_number_total             12820
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja206806t_si_002_2.cif
_cod_data_source_block           2
_cod_original_cell_volume        10696.5(15)
_cod_original_sg_symbol_Hall     '-C 2YC'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4106925