Information card for entry 4087177

Structure parameters

• Formula: C30 H38 I N2 U
• Calculated formula: C30 H38 I N2 U
• SMILES: [U]123456789([n]%10ccccc%10c%10[n]1cccc%10)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.[I-]
• Title of publication: Small-Molecule Activation Mediated by a Uranium Bipyridyl Metallocene
• Authors of publication: Zhang, Lei; Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 10.55171 ± 0.00009 Å
• b: 14.42242 ± 0.00014 Å
• c: 18.30773 ± 0.00016 Å
• α: 90°
• β: 90.3949 ± 0.0008°
• γ: 90°
• Cell volume: 2786.03 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0305
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No