Information card for entry 7014925

Structure parameters

• Formula: C80 H108 N14 Ni3 O34
• Calculated formula: C80 H100 N14 Ni3 O30
• Title of publication: Structure, adsorption and magnetic properties of chiral metal-organic frameworks bearing linear trinuclear secondary building blocks.
• Authors of publication: Chen, Zilu; Liu, Xianlin; Zhang, Chuanbing; Zhang, Zhong; Liang, Fupei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 1911 - 1918
• a: 18.495 ± 0.004 Å
• b: 24.215 ± 0.005 Å
• c: 11.297 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5059.4 ± 1.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No