Information card for entry 4338772

Structure parameters

• Formula: C27 H74 N5 O Si6 U
• Calculated formula: C27 H74 N5 O Si6 U
• SMILES: [U](=O)(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)C#N.[N+](CC)(CC)(CC)CC
• Title of publication: The inverse trans influence in a family of pentavalent uranium complexes.
• Authors of publication: Lewis, Andrew J.; Mullane, Kimberly C.; Nakamaru-Ogiso, Eiko; Carroll, Patrick J.; Schelter, Eric J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6944 - 6953
• a: 14.6978 ± 0.0008 Å
• b: 12.8861 ± 0.0007 Å
• c: 23.4364 ± 0.0013 Å
• α: 90°
• β: 92.896 ± 0.003°
• γ: 90°
• Cell volume: 4433.1 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No