Information card for entry 7231511

Structure parameters

• Formula: C72 H48 Cl N12 O20 Ru2 V6
• Calculated formula: C72 H48 Cl N12 O20 Ru2 V6
• 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: 16.289 ± 0.0017 Å
• b: 16.476 ± 0.0017 Å
• c: 18.003 ± 0.002 Å
• α: 104.61 ± 0.002°
• β: 116.152 ± 0.002°
• γ: 91.609 ± 0.002°
• Cell volume: 4142.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.2562
• Weighted residual factors for all reflections included in the refinement: 0.2771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No