Information card for entry 4108894

Structure parameters

• Formula: C40 H72 Ni4 O24
• Calculated formula: C40 H72 Ni4 O24
• Title of publication: Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials
• Authors of publication: Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17246 - 17247
• a: 7.2182 ± 0.0007 Å
• b: 12.1753 ± 0.0013 Å
• c: 14.1824 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1246.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No