Information card for entry 7042329

Structure parameters

• Formula: C42 H52 U
• Calculated formula: C42 H52 U
• SMILES: [U]123456789%10%11(C(=[C]1=[C]2=C3c1ccccc1)c1ccccc1)([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: 24.935 ± 0.016 Å
• b: 24.935 ± 0.016 Å
• c: 11.671 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7256 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No