Intraligand Charge Transfer Sensitization on Self-Assembled Europium Tetrahedral Cage Leads to Dual-Selective Luminescent Sensing toward Anion and Cation.
Liu, Cui-Lian; Zhang, Rui-Ling; Lin, Chen-Sheng; Zhou, Li-Peng; Cai, Li-Xuan; Kong, Jin-Tao; Yang, Song-Qiu; Han, Ke-Li; Sun, Qing-Fu; Journal of the American Chemical Society 139 (2017) 12474–12479; doi:10.1021/jacs.7b05157

data_4131419
_publ_section_title
;
 Intraligand Charge Transfer Sensitization on Self-Assembled Europium
 Tetrahedral Cage Leads to Dual-Selective Luminescent Sensing toward Anion
 and Cation.
;
_journal_issue                   36
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12474
_journal_page_last               12479
_journal_paper_doi               10.1021/jacs.7b05157
_journal_volume                  139
_journal_year                    2017
_chemical_formula_sum            'C204 H144 Eu4 F36 N48 O63 S12'
_chemical_formula_weight         5952.22
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/4
_cell_angle_alpha                90
_cell_angle_beta                 109.0020(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   46.803(3)
_cell_length_b                   39.504(2)
_cell_length_c                   35.3743(19)
_cell_measurement_reflns_used    9914
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      19.13
_cell_measurement_theta_min      2.16
_cell_volume                     61840(6)
_computing_cell_refinement       HKL3000
_computing_data_reduction        HKL3000
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.929
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.7388
_diffrn_reflns_av_R_equivalents  0.0712
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_Laue_measured_fraction_full 0.929
_diffrn_reflns_Laue_measured_fraction_max 0.929
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            164266
_diffrn_reflns_point_group_measured_fraction_full 0.929
_diffrn_reflns_point_group_measured_fraction_max 0.929
_diffrn_reflns_theta_full        19.257
_diffrn_reflns_theta_max         19.257
_diffrn_reflns_theta_min         0.718
_diffrn_source                   'SSRF BL17B1 Beamline'
_exptl_absorpt_coefficient_mu    1.067
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_description       block
_exptl_crystal_F_000             23808
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.749
_refine_diff_density_min         -0.909
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.727
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2749
_refine_ls_number_reflns         21418
_refine_ls_number_restraints     6231
_refine_ls_restrained_S_all      1.642
_refine_ls_R_factor_all          0.1353
_refine_ls_R_factor_gt           0.1163
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3439
_refine_ls_wR_factor_ref         0.3769
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16522
_reflns_number_total             21418
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja7b05157_si_001.cif
_cod_data_source_block           cc_pl_sq
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4131419
_shelx_shelxl_version_number     2016/4
_shelx_res_checksum              77589
_shelx_hkl_checksum              46128
_shelx_fab_checksum              12459