Information card for entry 1516916

Structure parameters

• Formula: C15 H23 Mo12 N6 O40 P
• Calculated formula: C15 H23 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: 11.8442 ± 0.0012 Å
• b: 12.1069 ± 0.0012 Å
• c: 17.7816 ± 0.0018 Å
• α: 74.081 ± 0.001°
• β: 70.931 ± 0.001°
• γ: 71.804 ± 0.001°
• Cell volume: 2246.9 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0411
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No