Information card for entry 7042330

Structure parameters

• Formula: C36 H60 Si2 U
• Calculated formula: C36 H60 Si2 U
• SMILES: [U]123456789%10%11(C(=[C]1=[C]2=C3[Si](C)(C)C)[Si](C)(C)C)([c]1([cH]4[c]5([cH]6[cH]71)C(C)(C)C)C(C)(C)C)[c]1([cH]8[c]9([cH]%10[cH]1%11)C(C)(C)C)C(C)(C)C
• Title of publication: Preparation of a uranium metallacyclocumulene and its reactivity towards unsaturated organic molecules.
• Authors of publication: Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3716 - 3728
• a: 10.817 ± 0.009 Å
• b: 18.009 ± 0.009 Å
• c: 19.81 ± 0.012 Å
• α: 90°
• β: 100.859 ± 0.017°
• γ: 90°
• Cell volume: 3790 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No