Argentivorous molecules with chromophores: dependence of fluorescence intensity on the distance between donor and acceptor
Ju, Huiyeong; Hiraoka, Takao; Horita, Hiroki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Dalton Transactions  (2022) –; doi:10.1039/D2DT01581A

data_7711206
_publ_section_title
;
 Argentivorous molecules with chromophores: dependence of fluorescence
 intensity on the distance between donor and acceptor
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01581A
_journal_year                    2022
_chemical_formula_moiety         'C66 H64 Ag N4 O2, C F3 O3 S'
_chemical_formula_sum            'C67 H64 Ag F3 N4 O5 S'
_chemical_formula_weight         1202.15
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-03-30 deposited with the CCDC.	2022-09-08 downloaded from the CCDC.
;
_cell_angle_alpha                94.4274(19)
_cell_angle_beta                 99.9833(18)
_cell_angle_gamma                116.5991(15)
_cell_formula_units_Z            2
_cell_length_a                   14.5272(13)
_cell_length_b                   14.5290(14)
_cell_length_c                   15.8434(15)
_cell_measurement_reflns_used    4665
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      26.71
_cell_measurement_theta_min      2.24
_cell_volume                     2898.9(5)
_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-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_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  0.0324
_diffrn_reflns_av_unetI/netI     0.0663
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18392
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.176
_exptl_absorpt_coefficient_mu    0.448
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6684
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.275
_exptl_crystal_size_mid          0.262
_exptl_crystal_size_min          0.101
_refine_diff_density_max         0.954
_refine_diff_density_min         -0.349
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     730
_refine_ls_number_reflns         11337
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0493
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0605P)^2^+0.5139P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1134
_refine_ls_wR_factor_ref         0.1202
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9557
_reflns_number_total             11337
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt01581a5.cif
_cod_data_source_block           L2AgOTf
_cod_database_code               7711206
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.887
_shelx_estimated_absorpt_t_max   0.956
_shelx_res_checksum              54674
_shelx_hkl_checksum              98372
_shelx_fab_checksum              61716