Information card for entry 7105746

Structure parameters

• Formula: C41 H56 N3 Re Si3 U
• Calculated formula: C41 H56 N3 Re Si3 U
• SMILES: [U]12([Re]3456789%10([cH]%11[cH]6[cH]5[cH]4[cH]3%11)[cH]3[cH]%10[cH]9[cH]8[cH]73)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
• 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: 15.9356 ± 0.0004 Å
• b: 15.1651 ± 0.0005 Å
• c: 33.4591 ± 0.001 Å
• α: 90°
• β: 91.052 ± 0.003°
• γ: 90°
• Cell volume: 8084.5 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.0892
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No