Information card for entry 7205391

Structure parameters

• Formula: C10 H15 N9 Zn
• Calculated formula: C10 H15 N9 Zn
• SMILES: c1cccc2C=[N]3CC[N](C)(C)[Zn]3([n]12)(N=N#N)N=N#N
• 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: 9.8594 ± 0.0017 Å
• b: 11.0993 ± 0.0018 Å
• c: 13.426 ± 0.002 Å
• α: 90°
• β: 93.789 ± 0.002°
• γ: 90°
• Cell volume: 1466 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No