Information card for entry 7102295

Structure parameters

• Formula: C96 H74 Cl4 Cu1.43 N24 Ni4.57 O10.5
• Calculated formula: C96 H74 Cl4 Cu1.43 N24 Ni4.57 O10.5
• 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: 13.259 ± 0.005 Å
• b: 26.875 ± 0.01 Å
• c: 28.993 ± 0.009 Å
• α: 90°
• β: 105.483 ± 0.014°
• γ: 90°
• Cell volume: 9956 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.2948
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.67
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No