Information card for entry 4080296

Structure parameters

• Common name: complex_14
• Formula: C54 H90 O2 Si6 U2
• Calculated formula: C54 H90 O2 Si6 U2
• SMILES: [U]123456789%10%11(OC#CO[U]%12%13%14%15%16%17%18%19%20%21%22([CH]%23=[C]%12([CH]%13=[CH]%14[CH]%15=[CH]%16[C]%17(=[CH]%18%23)[Si](C)(C)C)[Si](C)(C)C)[c]%12([c]%19([c]%20([c]%21([c]%22%12[Si](C)(C)C)C)C)C)C)([CH]%12=[C]1([CH]2=[CH]3[CH]4=[CH]5[C]6(=[CH]7%12)[Si](C)(C)C)[Si](C)(C)C)[c]1([c]8([c]9([c]%10([c]%111[Si](C)(C)C)C)C)C)C
• Title of publication: Steric Effects in the Reductive Coupling of CO by Mixed-Sandwich Uranium(III) Complexes
• Authors of publication: Tsoureas, Nikolaos; Summerscales, Owen T.; Cloke, F. Geoffrey N.; Roe, S. Mark
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1353
• a: 18.694 ± 0.004 Å
• b: 26.788 ± 0.005 Å
• c: 12.122 ± 0.002 Å
• α: 90°
• β: 93.03 ± 0.03°
• γ: 90°
• Cell volume: 6062 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0666
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No