Information card for entry 7020525

Structure parameters

• Formula: Cr2 H28 K8 Nb10 O46
• Calculated formula: Cr2 H28 K8 Nb10 O46
• SMILES: [K+].[K+].[K+].[O]=[Nb]1234[O]56[Cr]789%10[O]%11[Nb]%12%13%14(=O)O[Nb]%15%16%17(=O)O[Nb]6%11%18(=O)O[Nb]6%11(=O)(O%15)O[Nb]%15(O%16)(O%12)(=O)[O]%13%17%18%11[Cr]5%11([OH]6)([OH]%15)[O]3[Nb]35(=O)([O]7%14%11)O[Nb]67(=O)(O1)O[Nb]1(O5)(=O)([OH]8)[O]237%10[Nb](O6)(O4)(O1)(=O)[OH]9.[K+].O.O.O.O.O.O.[K+].[K+].[K+].[K+].O.O.O.O.O.O
• Title of publication: A new class of soluble and stable transition-metal-substituted polyoxoniobate: [Cr(2)(OH)(4)Nb(10)O(30)](8-).
• Authors of publication: Son, Jung-Ho; Ohlin, C André; Casey, William H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 41
• Pages of publication: 12674 - 12677
• a: 9.6658 ± 0.0008 Å
• b: 10.6352 ± 0.0009 Å
• c: 11.4163 ± 0.001 Å
• α: 75.245 ± 0.001°
• β: 80.56 ± 0.001°
• γ: 87.655 ± 0.001°
• Cell volume: 1119.5 ± 0.16 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No