Information card for entry 7015303

Structure parameters

• Common name: Compound 5
• Formula: C68 H78 N2 O7.5 P5 U
• Calculated formula: C68 H73 N2 O7.5 P5 U
• Title of publication: Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy.
• Authors of publication: Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 15
• Pages of publication: 3914 - 3926
• a: 9.849 ± 0.005 Å
• b: 13.004 ± 0.005 Å
• c: 26.892 ± 0.005 Å
• α: 96.38 ± 0.005°
• β: 92.738 ± 0.005°
• γ: 110.122 ± 0.005°
• Cell volume: 3200 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0557
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No