Metal-Controlled Diastereoselective Self-Assembly and Circularly Polarized Luminescence of a Chiral Heptanuclear Europium Wheel
Gülay Bozoklu; Christelle Gateau; Daniel Imbert; Jacques Pécaut; Koen Robeyns; Yaroslav Filinchuk; Farah Memon; Gilles Muller; Marinella Mazzanti; Journal of the American Chemical Society 134 (2012) 8372–8375; doi:10.1021/ja3020814

data_4117960
_publ_section_title
;
 Metal-Controlled Diastereoselective Self-Assembly and Circularly
 Polarized Luminescence of a Chiral Heptanuclear Europium Wheel
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8372
_journal_page_last               8375
_journal_paper_doi               10.1021/ja3020814
_journal_volume                  134
_journal_year                    2012
_chemical_absolute_configuration rmad
_chemical_formula_sum            'C246.25 H168 Eu7 F18.75 N36 O54.75 S6.25'
_chemical_formula_weight         6127.51
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 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                 92.945(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   45.7446(11)
_cell_length_b                   31.0966(5)
_cell_length_c                   45.7325(11)
_cell_measurement_temperature    100(2)
_cell_volume                     64969(2)
_computing_cell_refinement       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_collection       'MAR345 control software (MAR, 2002)'
_computing_data_reduction        'CrysAlis (Oxford Diffraction, 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(1)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'MAR345 Image plate'
_diffrn_measurement_method       \f-scan
_diffrn_radiation_monochromator  'Si (111)'
_diffrn_radiation_source         'Beamline BM1A, SNBL, ESRF, Grenoble, France'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.70093
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0684
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            62696
_diffrn_reflns_theta_full        15.65
_diffrn_reflns_theta_max         15.65
_diffrn_reflns_theta_min         4.02
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.447
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55453
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSPACK in CrysAlisPro'
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_F_000             24362
_refine_diff_density_max         1.126
_refine_diff_density_min         -0.795
_refine_diff_density_rms         0.125
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.050(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2559
_refine_ls_number_reflns         29668
_refine_ls_number_restraints     2094
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.1119
_refine_ls_R_factor_gt           0.0975
_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^)+(0.2500P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2698
_refine_ls_wR_factor_ref         0.2913
_reflns_number_gt                24620
_reflns_number_total             29668
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja3020814_si_001.cif
_cod_data_source_block           eu_wheel_085bh_3_100k-last_inverted
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4117960