Information card for entry 7013116

Structure parameters

• Formula: C34 H46 Cl N3 O3 P2 Si2 U
• Calculated formula: C34 H46 Cl N3 O3 P2 Si2 U
• SMILES: [U]12(=O)(=O)([O]3CCCC3)([N](=P(N1P(=[N]2[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)Cl
• 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: 10.9989 ± 0.001 Å
• b: 12.595 ± 0.0012 Å
• c: 16.098 ± 0.0015 Å
• α: 73.384 ± 0.002°
• β: 74.307 ± 0.002°
• γ: 64.549 ± 0.001°
• Cell volume: 1901.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0282
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No