Information card for entry 4304083

Structure parameters

• Formula: C40 H56 Cu4 Mo8 N16 O26
• Calculated formula: C40 H56 Cu4 Mo8 N16 O26
• Title of publication: Supramolecular Isomerism with Polythreaded Topology Based on [Mo8O26]4- Isomers
• Authors of publication: Ya-Qian Lan; Shun-Li Li; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; En-Bo Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 529 - 534
• a: 11.91 ± 0.0019 Å
• b: 12.458 ± 0.002 Å
• c: 13.113 ± 0.002 Å
• α: 70.031 ± 0.003°
• β: 63.821 ± 0.002°
• γ: 69.96 ± 0.003°
• Cell volume: 1598 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No