Information card for entry 4340436

Structure parameters

• Common name: none
• Formula: C360 H386 Cu24 N12 O109
• Calculated formula: C360 H316 Cu24 N12 O109
• Title of publication: Synthesis and structure of cuboctahedral and anticuboctahedral cages containing 12 quadruply bonded dimolybdenum units.
• Authors of publication: Ke, Yanxiong; Collins, David J.; Zhou, Hong-Cai
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4154 - 4156
• a: 28.4962 ± 0.0005 Å
• b: 28.4962 ± 0.0005 Å
• c: 42.1861 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 34256.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.2041
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No