Information card for entry 7026163

Structure parameters

• Formula: C8 H11 Cu N3
• Calculated formula: C8 H11 Cu N3
• Title of publication: Cracking the framework of bulk CuCN with flexible bipyrazolyl-based ligands to assemble [CuCN]n-based coordination polymers.
• Authors of publication: Li, Ling-Ling; Liu, Lei-Lei; Zheng, Ai-Xia; Chang, Yu-Jie; Dai, Ming; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 33
• Pages of publication: 7659 - 7665
• a: 10.198 ± 0.002 Å
• b: 10.819 ± 0.002 Å
• c: 8.9218 ± 0.0018 Å
• α: 90°
• β: 109.11 ± 0.03°
• γ: 90°
• Cell volume: 930.1 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No