Information card for entry 7217463

Structure parameters

• Formula: C18 H79 Mo12 N10 O60.5 P2
• Calculated formula: C18 H24 Mo12 N10 O60.5 P2
• Title of publication: Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates
• Authors of publication: Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 8041
• a: 18.1471 ± 0.0018 Å
• b: 26.828 ± 0.003 Å
• c: 19.2959 ± 0.0019 Å
• α: 90°
• β: 115.157 ± 0.002°
• γ: 90°
• Cell volume: 8503.1 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1712
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7216650
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No