Information card for entry 4120286

Structure parameters

• Formula: C72 H162 Cs N O24 Si6 U2
• Calculated formula: C72 H162 Cs N O24 Si6 U2
• SMILES: [U]12(N3[U]4([O]5[Cs]673([O](C(C)(C)C)[Si]([O]26)(OC(C)(C)C)OC(C)(C)C)([O](C(C)(C)C)[Si]([O]17)(OC(C)(C)C)OC(C)(C)C)[O](C(C)(C)C)[Si]5(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si]([O]4C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
• Title of publication: Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands
• Authors of publication: Clément Camp; Jacques Pécaut; Marinella Mazzanti
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12101 - 12111
• a: 15.3369 ± 0.0005 Å
• b: 17.9607 ± 0.0007 Å
• c: 19.2055 ± 0.0006 Å
• α: 78.456 ± 0.003°
• β: 84.822 ± 0.003°
• γ: 86.879 ± 0.003°
• Cell volume: 5158.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0933
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No