Information card for entry 4349745

Structure parameters

• Formula: C24 H112 Cu6 N24 Nb12 O50 Si V2
• Calculated formula: C24 H64 Cu6 N24 Nb12 O50 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: 14.5357 ± 0.0004 Å
• b: 14.5357 ± 0.0004 Å
• c: 22.999 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4859.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.134
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2499
• Weighted residual factors for all reflections included in the refinement: 0.2746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No