Information card for entry 4105062

Structure parameters

• Chemical name: catena-{(μ3-cyanobenzoate-1κN:2κO:3κO) silver(I)} hydrate
• Formula: C8 H6 Ag N O3
• Calculated formula: C8 H4 Ag N O3
• Title of publication: A Direct White-Light-Emitting Metal-Organic Framework with Tunable Yellow-to-White Photoluminescence by Variation of Excitation Light
• Authors of publication: Ming-Sheng Wang; Sheng-Ping Guo; Yan Li; Li-Zhen Cai; Jian-Ping Zou; Gang Xu; Wei-Wei Zhou; Fa-Kun Zheng; Guo-Cong Guo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 13572 - 13573
• a: 3.7268 ± 0.0004 Å
• b: 11.8446 ± 0.0011 Å
• c: 19.9373 ± 0.0017 Å
• α: 90°
• β: 93.941 ± 0.004°
• γ: 90°
• Cell volume: 878 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No