Information card for entry 4349747

Structure parameters

• Formula: C24 H132 Cu6 N24 Nb12 O60 Si V2
• Calculated formula: C24 H72 Cu6 N24 Nb12 O60 Si V2
• 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: 14.8976 ± 0.0005 Å
• b: 20.6011 ± 0.0008 Å
• c: 16.2057 ± 0.0006 Å
• α: 90°
• β: 96.757 ± 0.003°
• γ: 90°
• Cell volume: 4939.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No