Information card for entry 2014310

Structure parameters

• Chemical name: Tetrapiperidinium di-μ-methoxy-di-μ~5~-oxo-tetra-μ~3~-oxo-dodeca-μ~2~-oxo-octaoxodecavanadate
• Formula: C22 H54 N4 O28 V10
• Calculated formula: C22 H54 N4 O28 V10
• SMILES: C[O]1[V]234(=O)O[V]567([O]89%104[V]41(=O)([O]1[V]%11%128(O[V]8%13%14(=O)O[V]%15%16%17(=O)[O](C)[V]%18%19([O]%11[V]9(O2)(=O)(O7)[O]%18[V]2%10(O5)(O%16)[O]4[V]1(=O)(O%15)(O%13)[O]%12%14%17%192)(=O)O8)O3)O6)=O.C1CCCC[NH2+]1.C1CCCC[NH2+]1.C1CCCC[NH2+]1.C1CCCC[NH2+]1
• Title of publication: Tetrapiperidinium di-μ-methoxy-di-μ~5~-oxo-tetra-μ~3~-oxo-dodeca-μ~2~-oxo-octaoxodecavanadate
• Authors of publication: Fen Sun; Yan-Tuan Li; Zhi-Yong Wu; Da-Qi Wang; Jian-Min Dou
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m60 - m62
• a: 10.546 ± 0.002 Å
• b: 12.95 ± 0.003 Å
• c: 16.033 ± 0.003 Å
• α: 90°
• β: 90.58 ± 0.03°
• γ: 90°
• Cell volume: 2189.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0929
• 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: Yes