Information card for entry 4315310

Structure parameters

• Formula: C39 H100 Cl5 N4 O4 Si8 U3
• Calculated formula: C39 H100 Cl5 N4 O4 Si8 U3
• SMILES: [U]1234([Cl][U]567([Cl][U]([Cl]1)([Cl]26)([Cl]37)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O](C)CC[O]5C)(N([Si](C)(C)C)[Si](C)(C)C)[O](C)CC[O]4C.c1ccccc1C
• Title of publication: Ligand Metalation in the Reactivity of a Tetravalent Uranium Amides
• Authors of publication: Ilia Korobkov; Sandro Gambarotta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3409 - 3418
• a: 15.181 ± 0.0017 Å
• b: 15.6704 ± 0.0018 Å
• c: 15.9987 ± 0.0018 Å
• α: 78.675 ± 0.002°
• β: 87.335 ± 0.002°
• γ: 66.676 ± 0.002°
• Cell volume: 3424.8 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.1145
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No