Information card for entry 7216648

Structure parameters

• Formula: C21 H49 Mo6 N5 O38 P
• Calculated formula: C21 H15 Mo6 N5 O38 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: 12.375 ± 0.002 Å
• b: 12.611 ± 0.003 Å
• c: 18.842 ± 0.004 Å
• α: 79.892 ± 0.004°
• β: 89.735 ± 0.004°
• γ: 70.484 ± 0.003°
• Cell volume: 2723.9 ± 1 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: 0.0625
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No