Information card for entry 7020524

Structure parameters

• Formula: C24 H104 Cr2 K2 N6 Nb10 O48
• Calculated formula: C24 H104 Cr2 K2 N6 Nb10 O48
• SMILES: O1[Nb]234(O[Nb]567([O]8[Cr]9%10%11%12%13[O]%14%15%16%17[Nb]%18%19%20(=O)O[Nb]%21%22%14(=O)[O]%14[Cr]%23%24%25%26%10([O]%10%2746[Nb]18(=O)(O[Nb]%27(O3)(O[Nb]%10(O2)(O5)(=O)[OH]%23)(=O)[OH]%24)[O]%12%26[Nb]%16%14%25(O%19)(=O)O[Nb]%17(O%20)(=O)(O[Nb]%15(O%18)(O%22)(=O)[OH]9)[OH]%11)[O]7%13%21)=O)=O.[K+].O.O.O.O.O.O.O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[K+].O.O.O.O.O.O.O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C
• 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: 10.8564 ± 0.0004 Å
• b: 14.0354 ± 0.0005 Å
• c: 14.0485 ± 0.0005 Å
• α: 114.092 ± 0.001°
• β: 100.701 ± 0.001°
• γ: 102.283 ± 0.001°
• Cell volume: 1818.12 ± 0.12 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No