Information card for entry 7013117

Structure parameters

• Formula: C60.5 H77 Cl3 N6 O4 P4 Si4 U2
• Calculated formula: C60.5 H76 Cl3 N6 O4 P4 Si4 U2
• Title of publication: Uranyl bis-iminophosphorane complexes with in- and out-of-plane equatorial coordinationElectronic supplementary information (ESI) available: Variable temperature 1H NMR spectra; Raman spectra; solid state diffuse reflectance electronic absorption spectra; luminescence spectra; interatomic distances of the optimised structures of 1* and 2* from molecular modelling calculations. See http://www.rsc.org/suppdata/dt/b3/b304602h/
• Authors of publication: Sarsfield, Mark J.; Steele, Helen; Helliwell, Madeleine; Teat, Simon J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 3443
• a: 11.295 ± 0.002 Å
• b: 12.479 ± 0.002 Å
• c: 14.211 ± 0.003 Å
• α: 107.595 ± 0.003°
• β: 93.089 ± 0.003°
• γ: 103.35 ± 0.003°
• Cell volume: 1841.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.6938 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No