Information card for entry 7231510

Structure parameters

• Formula: C72 H100 N12 O38 Ru2 V4
• Calculated formula: C72 H48 N12 O38 Ru2 V4
• Title of publication: Polyoxovanadate catalysts for oxidation of 1-phenyl ethanol: from the discrete [V4O12]4− and [V10O28]6− anions to the anionic [V6O17]n4n− coordination polymer
• Authors of publication: Wang, Ke; Xu, Qiaofei; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 40
• Pages of publication: 6273
• a: 12.1515 ± 0.001 Å
• b: 13.1137 ± 0.0011 Å
• c: 16.5899 ± 0.0014 Å
• α: 98.339 ± 0.001°
• β: 105.425 ± 0.001°
• γ: 104.474 ± 0.001°
• Cell volume: 2403.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No