Information card for entry 7040630

Structure parameters

• Formula: C33 H53 N Si2 U
• Calculated formula: C33 H53 N Si2 U
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[U]167892345([c]2([c]8([c]7([c]6([c]12C)C)C)C)C)([C](#[C]9[Si](C)(C)C)[Si](C)(C)C)[n]1ccccc1)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: 9.946 ± 0.009 Å
• b: 10.905 ± 0.01 Å
• c: 17.123 ± 0.016 Å
• α: 78.448 ± 0.013°
• β: 81.549 ± 0.014°
• γ: 68.883 ± 0.012°
• Cell volume: 1692 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No