Information card for entry 4083994

Structure parameters

• Formula: C30 H49 Cl2 Li N2 U
• Calculated formula: C30 H49 Cl2 Li N2 U
• SMILES: [c]12(C)[c]3(C)[c]4(C)[c]56[c]7(C)[c]8(C)[c]9(C)[c]15[U]15%10%11%122346789([c]2([c]1([c]5([c]%10([c]%112C)C)C)C)C)[Cl][Li]1([Cl]%12)[N](C)(C)CC[N]1(C)C
• Title of publication: Half- and Mixed-Sandwich Uranium Permethylpentalene Compounds
• Authors of publication: Chadwick, F. Mark; O’Hare, Dermot M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 14
• Pages of publication: 3768
• a: 10.6213 ± 0.0001 Å
• b: 43.493 ± 0.0005 Å
• c: 21.143 ± 0.0003 Å
• α: 90°
• β: 104.191 ± 0.0005°
• γ: 90°
• Cell volume: 9469 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Ambient diffracton pressure: 101 kPa
• 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: 0.1032
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections: 0.1236
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9581
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No