Information card for entry 7703508

Structure parameters

• Formula: C47 H51 Ag F3 N9 O11 S
• Calculated formula: C47 H51 Ag F3 N9 O11 S
• SMILES: [Ag]123([N]4(CC[N]1(CC[N]2(CC[N]3(CC4)C/C=C/c1ccc(N(=O)=O)cc1)C/C=C/c1ccc(N(=O)=O)cc1)C/C=C/c1ccc(N(=O)=O)cc1)C/C=C/c1ccc(N(=O)=O)cc1)[N]#CC.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.
• Authors of publication: Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3112 - 3119
• a: 13.6723 ± 0.0005 Å
• b: 13.6784 ± 0.0005 Å
• c: 14.1978 ± 0.0005 Å
• α: 71.0716 ± 0.0005°
• β: 86.927 ± 0.0006°
• γ: 89.7603 ± 0.0006°
• Cell volume: 2507.77 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No