Highly efficient Förster resonance energy transfer between an emissive tetraphenylethylene-based metal-organic cage and the encapsulated dye guest.
Li, Danyang; Liu, Xin; Yang, Linlin; Li, Hechuan; Guo, Guoxu; Li, Xuezhao; He, Cheng; Chemical science 14 (2023) 2237–2244; doi:10.1039/d2sc06022a

data_1568379
_publ_section_title
;
 Highly efficient F&#xf6;rster resonance energy transfer between an
 emissive tetraphenylethylene-based metal-organic cage and the
 encapsulated dye guest.
;
_journal_issue                   8
_journal_name_full               'Chemical science'
_journal_page_first              2237
_journal_page_last               2244
_journal_paper_doi               10.1039/d2sc06022a
_journal_volume                  14
_journal_year                    2023
_chemical_formula_sum            'C422 H299 B11.5 F47 N72 O27.75 Zn8'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-08-08 deposited with the CCDC.	2023-01-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.6490(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   55.058(3)
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_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.25
_cell_measurement_theta_min      2.22
_cell_volume                     73544(7)
_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-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1120
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
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_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.094
_exptl_absorpt_coefficient_mu    0.309
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    0.755
_exptl_crystal_description       block
_exptl_crystal_F_000             17110
_exptl_crystal_size_max          0.220
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_exptl_crystal_size_min          0.190
_platon_squeeze_details
;
;
_refine_diff_density_max         0.607
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         129439
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_refine_ls_R_factor_all          0.3647
_refine_ls_R_factor_gt           0.1153
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0800P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2815
_refine_ls_wR_factor_ref         0.3155
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21007
_reflns_number_total             129439
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2sc06022a2.cif
_cod_data_source_block           new2
_cod_depositor_comments
'Adding full bibliography for 1568379--1568380.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C422 H299 B11.50 F47 N72 O27.75 Zn8'
_cod_database_code               1568379
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_shelx_estimated_absorpt_t_min   0.935
_shelx_estimated_absorpt_t_max   0.944