Information card for entry 7015304

Structure parameters

• Common name: Compound 6
• Formula: C99 H86 Cl6 N4 O12 P8 U2
• Calculated formula: C99 H86 Cl6 N4 O12 P8 U2
• 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: 21.98 ± 0.005 Å
• b: 27.412 ± 0.006 Å
• c: 17.356 ± 0.004 Å
• α: 90°
• β: 101.42 ± 0.005°
• γ: 90°
• Cell volume: 10250 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1682
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No