Information card for entry 7232072

Structure parameters

• Formula: C6 H31 Al Cu2.5 Mo6 N6 O27
• Calculated formula: C6 H31 Al Cu2.5 Mo6 N6 O27
• Title of publication: A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions
• Authors of publication: Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1168
• a: 6.4672 ± 0.0016 Å
• b: 10.482 ± 0.003 Å
• c: 13.154 ± 0.003 Å
• α: 87.291 ± 0.003°
• β: 85.271 ± 0.005°
• γ: 84.015 ± 0.005°
• Cell volume: 883.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No