Information card for entry 2201255

Structure parameters

• Chemical name: hexapotassium hexamolybdodivanadate tetrahydrate
• Formula: H8 K6 Mo6 O30 V2
• Calculated formula: H8 K6 Mo6 O30 V2
• SMILES: [Mo]123(O[V]45([O]6[Mo]7(=O)(O1)([O]12[Mo]2(=O)([O]8[Mo]9(=O)([O]42)(O[Mo]24(O[V]18(=O)[O]7[Mo]6(=O)(O2)([O]594)=O)(=O)=O)=O)(O3)=O)=O)=O)(=O)=O.[K+].[K+].[K+].[K+].[K+].[K+].O.O.O.O
• Title of publication: K~6~[Mo~6~V~2~O~26~]·4H~2~O
• Authors of publication: Strukan, Neven; Devčić, Maja; Kamenar, Boris; Giester, Gerald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: i114 - i116
• a: 14.717 ± 0.003 Å
• b: 12.813 ± 0.003 Å
• c: 9.251 ± 0.002 Å
• α: 90°
• β: 128.73 ± 0.03°
• γ: 90°
• Cell volume: 1360.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes