Information card for entry 4087175

Structure parameters

• Formula: C39 H63 N3 U
• Calculated formula: C39 H63 N3 U
• SMILES: [U]123456789(N(C%10CCCCC%10)C(=NC%10CCCCC%10)N1C1CCCCC1)([c]1([c]4([c]9([c]3([c]21C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• 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: 10.0513 ± 0.0003 Å
• b: 20.195 ± 0.0006 Å
• c: 17.8977 ± 0.0005 Å
• α: 90°
• β: 90.029 ± 0.003°
• γ: 90°
• Cell volume: 3632.98 ± 0.18 ų
• Cell temperature: 100.2 ± 0.9 K
• Ambient diffraction temperature: 100.2 ± 0.9 K
• Number of distinct elements: 4
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No