Information card for entry 7226107

Structure parameters

• Formula: C66 H76 N11 O21 U2
• Calculated formula: C66 H72 N11 O21 U2
• Title of publication: Dioxo-vanadium(V), oxo-rhenium(V) and dioxo-uranium(VI) complexes with a tridentate Schiff base ligand
• Authors of publication: Zhang, Yingjie; Fanna, Daniel; Shepherd, Nicholas D.; Karatchevtseva, Inna; Lu, Kim; Kong, Linggen; Price, Jason R.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 15.416 ± 0.003 Å
• b: 15.959 ± 0.003 Å
• c: 16.435 ± 0.003 Å
• α: 105.45 ± 0.03°
• β: 113.33 ± 0.03°
• γ: 90.57 ± 0.03°
• Cell volume: 3548.1 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: silicondoublecrystalmonochromatedsynchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No