Information card for entry 4316458

Structure parameters

• Formula: C28 H72 N3 Na O5 Si6 U
• Calculated formula: C28 H72 N3 Na O5 Si6 U
• SMILES: [U]12(N([Si]([CH2]1[Na]1345[O]6CC[O]1CC[O]3CC[O]4CC[O]5CC6)(C)C)[Si](C)(C)C)(N([Si](C2)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: The Bis Metallacyclic Anion [U(N{SiMe3}2)(CH2SiMe2N{SiMe3})2]-
• Authors of publication: Olivier Bénaud; Jean-Claude Berthet; Pierre Thuéry; Michel Ephritikhine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8117 - 8130
• a: 12.0093 ± 0.0005 Å
• b: 18.4274 ± 0.0013 Å
• c: 20.8751 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4619.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No