Information card for entry 7711207

Structure parameters

• Formula: C71 H72 Ag Cl2 F3 N4 O5 S
• Calculated formula: C71 H72 Ag Cl2 F3 N4 O5 S
• SMILES: [Ag]123[N]4(CC[N]1(CC[N]2(CC[N]3(CC4)Cc1ccccc1)Cc1ccc(OCCc2c3ccccc3cc3ccccc23)cc1)Cc1ccccc1)Cc1ccc(OCCc2c3ccccc3cc3ccccc23)cc1.S(=O)(=O)([O-])C(F)(F)F.ClCCCl
• Title of publication: Argentivorous molecules with chromophores: dependence of fluorescence intensity on the distance between donor and acceptor
• Authors of publication: Ju, Huiyeong; Hiraoka, Takao; Horita, Hiroki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 19.4648 ± 0.0013 Å
• b: 21.0751 ± 0.0014 Å
• c: 14.7014 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6030.8 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No