Information card for entry 7040637

Structure parameters

• Formula: C49 H63 N Si2 U
• Calculated formula: C49 H63 N Si2 U
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[U]16782345([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)(C(=C[Si](C)(C)C)[Si](C)(C)C)[N]#C(c1cccc2ccccc12)c1c2ccccc2ccc1)C)C)C)C
• Title of publication: Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.
• Authors of publication: Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 41
• Pages of publication: 16441 - 16452
• a: 9.716 ± 0.005 Å
• b: 21.054 ± 0.01 Å
• c: 21.626 ± 0.009 Å
• α: 90°
• β: 90.336 ± 0.012°
• γ: 90°
• Cell volume: 4424 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No