Information card for entry 7207649

Structure parameters

• Formula: C7 H12 Ag N5 S
• Calculated formula: C7 H12 Ag N5 S
• Title of publication: Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies
• Authors of publication: Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2787
• a: 6.2611 ± 0.0013 Å
• b: 6.4887 ± 0.0013 Å
• c: 12.483 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 507.14 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No