Information card for entry 7212201

Structure parameters

• Formula: C6 H32 As8 N4 O46 V14
• Calculated formula: C6 H24 As8 N4 O46 V14
• SMILES: [As]12[O]3[V]45([O]6[As]([O]7[V]89([O]1[V]1%10([O]%11[V]%123([O]3[As]%13[O]%14[V]%15%16([O]%17[As](O%13)[O]%13[V]%113(=O)[O]%10[V]3%13([O]%10[V]%11%13(=O)[O]%18[V]%19%20([O]%21[V]7([O]7[V]%226([O]4[V]%14(=O)([O]%15[As]4O[As]([O]%20[V]%217([O]%224)=O)[O]%16[V]%17%10%18=O)[O]5%12)=O)([O]9[As](O[As]([O]81)[O]3%13)[O]%11%19)=O)=O)=O)=O)=O)=O)=O)O2)=O.CC(C[NH3+])[NH3+].CC(C[NH3+])[NH3+].O.O.O.O
• Title of publication: Zero- and two-dimensional structures based on AsIII‒VIV polyoxometalates
• Authors of publication: Shi, Shu-Yun; Chen, Yan; Xu, Jia-Ning; Zou, Yong-Cun; Cui, Xiao-Bing; Wang, Yan; Wang, Tie-Gang; Xu, Ji-Qing; Gao, Zhong-Min
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1949
• a: 36.286 ± 0.0017 Å
• b: 36.286 ± 0.0017 Å
• c: 21.425 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24430 ± 4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No