Information card for entry 7208867

Structure parameters

• Formula: C10 H7 Cu0.5 N O3.5
• Calculated formula: C10 H6 Cu0.5 N O3.5
• Title of publication: Conformational control of ligands to create a finite metal‒organic cluster and an extended metal‒organic framework
• Authors of publication: Rajput, Lalit; Kim, Dongwook; Lah, Myoung Soo
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 259
• a: 32.365 ± 0.004 Å
• b: 32.365 ± 0.004 Å
• c: 32.365 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33902 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :2
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.2465
• Residual factor for significantly intense reflections: 0.1515
• Weighted residual factors for significantly intense reflections: 0.4379
• Weighted residual factors for all reflections included in the refinement: 0.4844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.341
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No