Information card for entry 1516915

Structure parameters

• Formula: C14 H21 Mo12 N6 O40 P
• Calculated formula: C14 H21 Mo12 N6 O40 P
• Title of publication: Assembly of four new supramolecular compounds based on Keggin phosphomolybdate and different organocations
• Authors of publication: Mingli Qi; Kai Yu; Zhanhua Su; Chunxiao Wang; Chunmei Wang; Baibin Zhou; Chuncheng Zhu
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 59 - 66
• a: 11.836 ± 0.005 Å
• b: 12.033 ± 0.005 Å
• c: 17.285 ± 0.005 Å
• α: 72.67 ± 0.005°
• β: 74.861 ± 0.005°
• γ: 70.914 ± 0.005°
• Cell volume: 2183.9 ± 1.4 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: 0.0238
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No