Information card for entry 4116001

Structure parameters

• Common name: C168 H144 Cl12 N48 Ni6 S12 24DMF 13H2O
• Formula: C240 H338 Cl12 N72 Ni6 O37 S24
• Calculated formula: C206.4 H144 Cl12 N68 Ni6 O12.52 S24
• Title of publication: A Nanometer-Sized Metallosupramolecular Cube with Oh Symmetry
• Authors of publication: Maochun Hong; Yingjun Zhao; Weiping Su; Rong Cao; Makoto Fujita; Zhongyuan Zhou; Albert S. C. Chan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 4819 - 4820
• a: 24.7269 ± 0.0014 Å
• b: 24.7269 ± 0.0014 Å
• c: 24.7269 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15118.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :2
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.1633
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.2932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No