Information card for entry 4305727

Structure parameters

• Formula: C40 H56 Cu3 Mo8 N16 O26
• Calculated formula: C40 H44 Cu3 Mo8 N16 O26
• Title of publication: Self-Assembly of Polyoxometalate-Based Metal Organic Frameworks Based on Octamolybdates and Copper-Organic Units: from CuII, CuI,II to CuI via Changing Organic Amine
• Authors of publication: Ya-Qian Lan; Shun-Li Li; Xin-Long Wang; Kui-Zhan Shao; Dong-Ying Du; Hong-Ying Zang; Zhong-Min Su
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8179 - 8187
• a: 11.698 ± 0.002 Å
• b: 12.911 ± 0.003 Å
• c: 13.001 ± 0.003 Å
• α: 95.179 ± 0.002°
• β: 115.805 ± 0.003°
• γ: 112.281 ± 0.002°
• Cell volume: 1557.1 ± 0.6 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: 0.0774
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No