Information card for entry 2239587

Structure parameters

• Common name: 2,6-Lutidinium dihydrogendecavanadate dihydrate
• Chemical name: Tetrakis(2,6-dimethylpyridinium) dihydrogen decavanadate dihydrate
• Formula: C28 H46 N4 O30 V10
• Calculated formula: C28 H46 N4 O30 V10
• SMILES: [nH+]1c(C)cccc1C.[nH+]1c(C)cccc1C.O=[V]1234O[V]567(O[V]89%10%11O[V]%12%13%14(O[V]%15%16%17(=O)O[V]%18(=O)(O%12)([O]28)[OH]3[V]238([O]9%13%15%18[V]9(=O)(O%17)(O%14)[O]3[V]3(=O)(O6)(O[V](O1)(=O)(O5)(O2)[O]47%1183)[OH]%109)O%16)=O)=O.O.[nH+]1c(C)cccc1C.[nH+]1c(C)cccc1C.O
• Title of publication: Tetrakis(2,6-dimethylpyridinium) dihydrogen decavanadate dihydrate
• Authors of publication: Rakovský, Erik; Krivosudský, Lukáš
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: m225 - m226
• a: 24.7777 ± 0.0005 Å
• b: 8.35654 ± 0.00016 Å
• c: 25.0089 ± 0.0006 Å
• α: 90°
• β: 113.878 ± 0.003°
• γ: 90°
• Cell volume: 4735 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes