Information card for entry 4500026

Structure parameters

• Formula: C14 H14 Ag Cl N14 O4
• Calculated formula: C14 H14 Ag Cl N14 O4
• SMILES: [Ag]12([n]3ccncc3c3[n]1c(nc(n3)N)N)[n]1ccncc1c1[n]2c(nc(n1)N)N.Cl(=O)(=O)(=O)[O-]
• Title of publication: Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals
• Authors of publication: Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D
• Journal of publication: Cryst. Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Pages of publication: 2026 - 2034
• a: 7.7 ± 0.0004 Å
• b: 16.4473 ± 0.0009 Å
• c: 15.7512 ± 0.0008 Å
• α: 90°
• β: 93.649 ± 0.003°
• γ: 90°
• Cell volume: 1990.75 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No