Information card for entry 8101523

Structure parameters

• Formula: C40 H100 N5 O43 V18
• Calculated formula: C40 H100 N5 O43 V18
• SMILES: [V]1234([V]56789%10([V]%11%12%13([O]%14[V]%15%16%17%18([V]%19%20%21%22([V]%23%24%25([V]%26%27%28([V]%29%30%31([V]%32%33%34%35([V]%36%37%38([V]%39%14%15([O]%17[V]%14%15([V]%17%40%41%42%43([V]([O]%24%28)([O]%40[V]([O]%27%29)([O]%30%32)(=O)[O]%41[V]%17([O]%15%43)(=O)([O]%36%39)[O]%33%37)([O]%20%25)(=O)[O]%14%42)=O)([O]%16%21)=O)(=O)[O]%11%38)(=O)[O]%34[V]5([O]8%13)(=O)([O]39)[O]%31%35)=O)([O]1%26)=O)([O]2%23)=O)(=O)[O]%19[V]6([O]%18%22)([O]7%12)(=O)[O]4%10)=O)=O)=O)=O)=O.O.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Crystal structure of pentakis(tetraethylammonium) octadecavanadate, [(C~2~H~5~)~4~N]~5~[V~18~O~42~(H~2~O)]
• Authors of publication: Shan, Yongkui; Huang, Songping D.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 3
• Pages of publication: 383 - 386
• a: 13.3994 ± 0.0007 Å
• b: 23.098 ± 0.001 Å
• c: 26.379 ± 0.001 Å
• α: 90°
• β: 90.265 ± 0.001°
• γ: 90°
• Cell volume: 8164.4 ± 0.6 ų
• Cell temperature: 296.7 K
• Ambient diffraction temperature: 296.7 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 significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.0836
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No