Information card for entry 7105744

Structure parameters

• Formula: C48 H71 N3 O Re Si3 U
• Calculated formula: C48 H71 N3 O Re Si3 U
• SMILES: [U]12([Re]3456789%10([cH]%11[cH]3[cH]4[cH]5[cH]6%11)[cH]3[cH]7[cH]8[cH]9[cH]%103)(N([Si](C([Si](N1c1cc(C)cc(C)c1)(C)C)[Si](N2c1cc(C)cc(C)c1)(C)C)(C)C)c1cc(C)cc(C)c1)[O]1CCCC1.CCCC(C)C
• Title of publication: Structural and theoretical insights into the perturbation of uranium–rhenium bonds by dative Lewis base ancillary ligands
• Authors of publication: Dipti Patel; David King; Benedict Gardner; Jonathan McMaster; William Lewis; Alexander Blake; Stephen Liddle
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 295
• a: 17.0448 ± 0.0004 Å
• b: 18.6938 ± 0.0004 Å
• c: 19.3062 ± 0.0005 Å
• α: 63.838 ± 0.003°
• β: 89.402 ± 0.002°
• γ: 63.08 ± 0.002°
• Cell volume: 4783.5 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No