Information card for entry 4349744

Structure parameters

• Formula: H36 K6 Nb6 O36
• Calculated formula: K6 Nb6 O36
• SMILES: [K+].O.[K+].O=[Nb]1234O[Nb]567(O[Nb]89(=O)(O[Nb]%10%11(=O)(O[Nb]%12(O[Nb](=O)(O1)(O%10)([O]468%11%12)O7)(=O)(O3)O9)O5)O2)=O.[K+].O.O.O.O.O.O.O.O.[K+].O.[K+].[K+].O.O.O.O.O.O.O
• Title of publication: New organic‒inorganic hybrid compounds based on [SiNb12V2O42]12− with high catalytic activity for styrene epoxidation
• Authors of publication: Zhang, Ting-Ting; Zhang, Xiao; Lü, Ying; Li, Guo-Dong; Xiao, Li-Na; Cui, Xiao-Bing; Xu, Ji-Qing
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 1397
• a: 12.102 ± 0.002 Å
• b: 12.703 ± 0.003 Å
• c: 10.068 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1547.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No