Information card for entry 2007870

Structure parameters

• Formula: As6 H14 K6 O49 V15
• Calculated formula: As6 K6 O49 V15
• SMILES: [As]12O[As]3[O]4[V]56(=O)[O]7[V]89(=O)[O]%10[V]%11%12(=O)[O]%13[V]%14([O]%15[V]%16%17(=O)[O]2[V]24(=O)[O]%16[V]4(=O)([O]%16[V]%18%19(=O)[O]%20[V]%21%22(=O)[O]%23[V]%24(=O)([O]%14[V]%14%15(=O)[O]%24[As]%15O[As]([O]4[V]%16%20([O]%21%15)=O)[O]%17%14)[O]%11[V]4%23(=O)[O]%12[As]%11O[As]([O]%19[V]7([O]8%11)(=O)[O]5%18)[O]%224)[O]62)([O]1[V]%10%13(=O)[O]39)=O.[K+].[K+].[K+].[K+].[K+].[K+].O.O.O.O.O.O.O
• Title of publication: K~6~[As~6~V~15~O~42~(H~2~O)].6H~2~O
• Authors of publication: Guo-Yu Yang; Lian-Shan Chen; Ji-Qing Xu; Ya-Feng Li; Hao-Ran Sun; Zhi-Wu Pei; Qiang Su; Yong-Hua Lin; Yan Xing; Heng-Qing Jia
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1556 - 1558
• a: 17.942 ± 0.003 Å
• b: 17.942 ± 0.003 Å
• c: 28.45 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7931 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for all reflections: 1.143
• Goodness-of-fit parameter for significantly intense reflections: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No