Luminescent silver(i) complexes with pyrazole-tetraphenylethene ligands: turn-on fluorescence due to the coordination-driven rigidification and solvent-oriented structural transformation.
Xu, Zou-Hong; Huang, Zi-Qing; Liu, Xiao-Hui; Zhao, Yue; Lu, Yi; Sun, Wei-Yin; Dalton transactions (Cambridge, England : 2003) 50 (2021) 2183–2191; doi:10.1039/d0dt04100a

data_7706381
_publ_section_title
;
 Luminescent silver(i) complexes with pyrazole-tetraphenylethene ligands:
 turn-on fluorescence due to the coordination-driven rigidification and
 solvent-oriented structural transformation.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2183
_journal_page_last               2191
_journal_paper_doi               10.1039/d0dt04100a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C40 H28 Ag2 F6 N8 O6 S2'
_chemical_formula_weight         1110.56
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-12-01 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;
_cell_angle_alpha                85.093(2)
_cell_angle_beta                 68.925(2)
_cell_angle_gamma                73.243(2)
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_cell_length_b                   14.4177(7)
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_cell_measurement_temperature    193(2)
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_cell_measurement_theta_min      2.80
_cell_volume                     2681.5(2)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_type           GaK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
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_diffrn_reflns_theta_max         52.998
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_exptl_absorpt_coefficient_mu    4.849
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_exptl_crystal_description       block
_exptl_crystal_F_000             1104
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_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^)+45.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2014
_refine_ls_wR_factor_ref         0.2083
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7658
_reflns_number_total             9433
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt04100a2.cif
_cod_data_source_block           3
_cod_depositor_comments
;
Adding full bibliography for 7706376--7706381.cif.

2025-04-02
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C80 H56 Ag4 F12 N16 O12 S4'
_cod_original_formula_weight         2221.12
_cod_original_formula_units_Z            1
_cod_database_code               7706381
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.594
_shelx_estimated_absorpt_t_max   0.698
_shelx_res_checksum              16078
_shelx_fab_checksum              56744