Information card for entry 7102296

Structure parameters

• Formula: C96 H74 Cl4 N24 Ni5 O10
• Calculated formula: C96 H74 Cl4 N24 Ni5 O10
• Title of publication: Single-crystal metal‒organic microtubes self-assembled from designed D3 symmetrical nanoclusters with a capped triple-helix pentanuclear M5O6 core.
• Authors of publication: Feng, Sisi; Zhu, Miaoli; Lu, Liping; Guo, Maolin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 45
• Pages of publication: 4785 - 4787
• a: 13.1351 ± 0.0011 Å
• b: 26.668 ± 0.002 Å
• c: 29.0984 ± 0.0019 Å
• α: 90°
• β: 105.009 ± 0.003°
• γ: 90°
• Cell volume: 9845.1 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No