Information card for entry 7004809

Structure parameters

• Formula: C5 H16 Cu4 N9 O2
• Calculated formula: C5 H16 Cu4 N9 O2
• Title of publication: An unusual anionic copper(i) cyanide 3D framework encapsulating a cationic copper(ii) complex as a guest
• Authors of publication: Park, Ki-Min; Lee, Sanjina; Kang, Youngjin; Moon, Suk-Hee; Lee, Shim Sung
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 46
• Pages of publication: 6521 - 6523
• a: 7.8845 ± 0.0003 Å
• b: 10.4605 ± 0.0004 Å
• c: 18.8317 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1553.16 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No