Information card for entry 4072153

Structure parameters

• Formula: C32 H47 I O U
• Calculated formula: C32 H47 I O U
• SMILES: [U]12345678(I)(Oc9c(cccc9C(C)C)C(C)C)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
• Title of publication: A Mild Protocol To Generate Uranium(IV) Mixed-Ligand Metallocene Complexes using Copper(I) Iodide
• Authors of publication: Graves, Christopher R.; Schelter, Eric J.; Cantat, Thibault; Scott, Brian L.; Kiplinger, Jaqueline L.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5371
• a: 16.5602 ± 0.0017 Å
• b: 18.6484 ± 0.0019 Å
• c: 19.595 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6051.4 ± 1.1 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No