Information card for entry 7228073

Structure parameters

• Formula: C42 H46 As2 Cu Mo6 N12 O28
• Calculated formula: C42 H46 As2 Cu Mo6 N12 O28
• Title of publication: Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes
• Authors of publication: Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 10.8652 ± 0.0005 Å
• b: 11.969 ± 0.0006 Å
• c: 13.1751 ± 0.0006 Å
• α: 115.495 ± 0.001°
• β: 100.719 ± 0.001°
• γ: 99.261 ± 0.001°
• Cell volume: 1462.36 ± 0.12 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: 0.0333
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No