Information card for entry 1514447

Structure parameters

• Formula: C90 H115 N6 Ni3 O31
• Calculated formula: C89.98 H114.98 N6 Ni3 O30.98
• Title of publication: Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion
• Authors of publication: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 1539
• a: 29.368 ± 0.002 Å
• b: 29.368 ± 0.002 Å
• c: 20.868 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15586.9 ± 1.9 ų
• Cell temperature: 119 ± 2 K
• Ambient diffraction temperature: 119 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No