Information card for entry 1516913

Structure parameters

• Formula: C30 H30 Mo24 N6 O82.96 P2
• Calculated formula: C30 H30 Mo24 N6 O82.96 P2
• 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: 25.8063 ± 0.001 Å
• b: 25.8063 ± 0.001 Å
• c: 25.8063 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17186.1 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No