Information card for entry 7205390

Structure parameters

• Formula: C10 H15 N9 Zn
• Calculated formula: C10 H15 N9 Zn
• Title of publication: Construction of three high-dimensional supramolecular networks from temperature-driven conformational isomers
• Authors of publication: Fang, Hua-Cai; Ge, Ying-Ying; Jia, Hong-Yang; Li, Shan-Shan; Sun, Feng; Zhang, Li-Guo; Cai, Yue-Peng
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 67
• a: 8.395 ± 0.0012 Å
• b: 9.5035 ± 0.0013 Å
• c: 10.2058 ± 0.0014 Å
• α: 71.53 ± 0.002°
• β: 84.594 ± 0.002°
• γ: 72.106 ± 0.002°
• Cell volume: 734.93 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No