Information card for entry 7241222

Structure parameters

• Formula: C31 H30 N2 Ni O12
• Calculated formula: C31 H30 N2 Ni O12
• Title of publication: Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake
• Authors of publication: Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 8.3958 ± 0.0008 Å
• b: 12.1818 ± 0.0011 Å
• c: 15.1802 ± 0.0014 Å
• α: 102.597 ± 0.008°
• β: 95.828 ± 0.008°
• γ: 94.332 ± 0.008°
• Cell volume: 1499.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No