Information card for entry 4308540

Structure parameters

• Formula: C40 H44 Ag2 N10 O14
• Calculated formula: C40 H44 Ag2 N10 O14
• SMILES: [Ag]12[n]3ccc(cc3)N(C)C(=O)c3cc(C(=O)N(c4cc[n]([Ag]([n]5ccc(cc5)N(C)C(=O)c5cc(C(=O)N(c6cc[n]1cc6)C)ccc5)ON(=[O]2)=O)cc4)C)ccc3.N(=O)(=O)[O-].O.O.O.O
• Title of publication: Disilver(I) Macrocycles: Variation of Cavity Size with Anion Binding
• Authors of publication: Nancy L. S. Yue; Michael C. Jennings; Richard J. Puddephatt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1125 - 1131
• a: 14.286 ± 0.0002 Å
• b: 26.2471 ± 0.0004 Å
• c: 11.5842 ± 0.0002 Å
• α: 90°
• β: 103.271 ± 0.001°
• γ: 90°
• Cell volume: 4227.68 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No