Information card for entry 2221073

Structure parameters

• Chemical name: Hexakis(2-aminopyridinium) di-μ~6~-oxido-tetra-μ~3~-oxido- tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) dihydrate
• Formula: C30 H46 N12 O30 V10
• Calculated formula: C30 H46 N12 O30 V10
• SMILES: c1(cccc[nH+]1)N.c1(cccc[nH+]1)N.Nc1[nH+]cccc1.[O]12[V]345(O[V]678([O]9%10%113[V]3%12([O]%13[V]%14%15%16([O]%17%18%19%20[V]%21%221(O[V]%17(O[V]2%10%18(O6)[O]%12%16)(O%15)(=O)O[V]%20(O%14)(O[V]%11%13%19(O[V]9(O3)(O4)(=O)O8)[O]5%22)(O%21)=O)=O)=O)(=O)O7)=O)=O.O.c1(cccc[nH+]1)N.c1(cccc[nH+]1)N.Nc1[nH+]cccc1.O
• Title of publication: Hexakis(2-aminopyridinium) di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) dihydrate
• Authors of publication: Yuan, Caixia; Lu, Liping; Zhu, Miaoli; Ma, Qi; Wu, Yanbo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m267 - m268
• a: 9.84 ± 0.003 Å
• b: 18.18 ± 0.006 Å
• c: 14.299 ± 0.005 Å
• α: 90°
• β: 97.416 ± 0.004°
• γ: 90°
• Cell volume: 2536.6 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes