Information card for entry 2210401

Structure parameters

• Chemical name: Dipotassium tetrasodium decavanadate octadecahydrate
• Formula: H36 K2 Na4 O46 V10
• Calculated formula: H32 K2 Na4 O46 V10
• SMILES: [V]12345O[V]678(O[V]9%10%11(O[V]%12%13(O6)([O]1[V]16%14(O[V]%15%16%17(O[V]%18%19([O]38%10%12[V]3(O7)(O9)([O]2[V]2(O%16)(O[V](O4)(O%15)(O1)([O]5%14%17%192)=O)([O]%183)=O)=O)([O]%136)O%11)=O)=O)=O)=O)=O.[K+].[K+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Dipotassium tetrasodium decavanadate octadecahydrate
• Authors of publication: Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: i176 - i178
• a: 17.738 ± 0.002 Å
• b: 12.636 ± 0.001 Å
• c: 20.042 ± 0.005 Å
• α: 90°
• β: 116.114 ± 0.009°
• γ: 90°
• Cell volume: 4033.6 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes