Information card for entry 7231512

Structure parameters

• Formula: C72 H78 N12 O43 Ru2 V10
• Calculated formula: C72 H48 N12 O43 Ru2 V10
• 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: 26.468 ± 0.004 Å
• b: 15.103 ± 0.002 Å
• c: 23.374 ± 0.003 Å
• α: 90°
• β: 108.164 ± 0.003°
• γ: 90°
• Cell volume: 8878 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No