Information card for entry 7106448

Structure parameters

• Common name: cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene)_2 (Zn 2+)_4 di-2,6-naphthalenedicarboxylate_6 H2O
• Formula: C86 H58 N10 O22 Zn2
• Calculated formula: C86 H58 N10 O22 Zn2
• Title of publication: Anion-directed assembly of a three-dimensional metal-organic rotaxane framework
• Authors of publication: Han-Yuan Gong; Brett M. Rambo; Won Cho; Vincent M. Lynch; Moonhyun Oh; Jonathan L. Sessler
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5973
• a: 10.195 ± 0.002 Å
• b: 21.342 ± 0.004 Å
• c: 18.533 ± 0.004 Å
• α: 90°
• β: 102.96 ± 0.03°
• γ: 90°
• Cell volume: 3929.7 ± 1.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0957
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No