Information card for entry 7107695

Structure parameters

• Formula: C20 H54 N5 S2 Si6 U
• Calculated formula: C20 H54 N5 S2 Si6 U
• SMILES: [U](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)(N=C=S)N=C=S
• Title of publication: Pentavalent Uranium Trans-Dihalides and -Pseudohalides
• Authors of publication: Andrew J. Lewis; Eiko Nakamaru-Ogiso; James M. Kikkawa; Patrick J. Carroll; Eric J. Schelter
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4977
• a: 12.102 ± 0.0003 Å
• b: 15.144 ± 0.0004 Å
• c: 20.9071 ± 0.0005 Å
• α: 90°
• β: 90.124 ± 0.001°
• γ: 90°
• Cell volume: 3831.69 ± 0.17 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No