Information card for entry 7107293

Structure parameters

• Formula: As8 Cl Cs5 O42 V14
• Calculated formula: As8 Cl Cs5 O42 V14
• SMILES: [As]12[O]3[V]45([O]6[As](O1)[O]1[V]78([O]9[V]%106([O]4[As]4[O]6[V]%11%12([O]%13[As]%14O[As]([O]%15[V]%16%17(=O)[O]%18[V]%19(=O)([O]%20[V]%21%22([O]%23[As]%24O[As]([O]%19%22)[O]%17[V]%17%15([O]%24[V]%15([O]%12[V]%126([O]6[As]([O]5[V]3%20([O]%21[V]%236(=O)[O]%15%12)=O)O4)=O)(=O)[O]%14%17)=O)=O)[O]2[V]1%18(=O)[O]8%16)[O]7[V]9%13([O]%10%11)=O)=O)=O)=O)=O.[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cl-]
• Title of publication: Symmetry preservation in a new noncentrosymmetric lattice comprised of acentric POM clusters residing in bowls of Cs+ -based half SOD B-cage
• Authors of publication: Wendy L. Queen; J. Palmer West; Shiou-Jyh Hwu; Thanh Thao Tran; P. Shiv Halasyamani; Don VanDerveer
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1665
• a: 26.487 ± 0.005 Å
• b: 13.766 ± 0.003 Å
• c: 13.53 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4933.3 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No