Information card for entry 7216645

Structure parameters

• Formula: C6 H44 Mo6 N6 O29.5 P
• Calculated formula: C6 H13 Mo6 N6 O29.5 P
• 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: 14.3564 ± 0.0012 Å
• b: 13.8963 ± 0.0012 Å
• c: 18.4197 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3674.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No