Information card for entry 4504639

Structure parameters

• Formula: C12 H18 Co3 O18
• Calculated formula: C12 H18 Co3 O18
• Title of publication: Coexistence of Planar and Chair-Shaped Cyclic Water Hexamers in a Unique Cyclohexanehexacarboxylate-Bridged Metal−Organic Framework
• Authors of publication: Wang, Jing; Zheng, Ling-Ling; Li, Cui-Jin; Zheng, Yan-Zhen; Tong, Ming-Liang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 357
• a: 14.3139 ± 0.001 Å
• b: 14.3139 ± 0.001 Å
• c: 14.6728 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2603.5 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No