Information card for entry 1516949

Structure parameters

• Formula: C39 H46 Mo8 N6 O26
• Calculated formula: C39 H42 Mo8 N6 O26
• Title of publication: Self-assembly of gamma-octamolybdate-based frameworks decorated by 1,3-bis(4-pyridyl)propane through covalent bond
• Authors of publication: Jia Gu; Xuee Jiang; Zhanhua Su; Zhifeng Zhao; Baibin Zhou
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 210 - 214
• a: 10.6712 ± 0.0007 Å
• b: 21.4989 ± 0.0014 Å
• c: 22.9381 ± 0.0015 Å
• α: 90°
• β: 96.812 ± 0.001°
• γ: 90°
• Cell volume: 5225.3 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No