Information card for entry 7031681

Structure parameters

• Common name: CGCScCl
• Formula: C56 H78 Cl2 N2 O2 Sc2 Si2
• Calculated formula: C56 H78 Cl2 N2 O2 Sc2 Si2
• Title of publication: Half-sandwich scandium boryl complexes bearing a silylene-linked cyclopentadienyl-amido ligand.
• Authors of publication: Wang, Baoli; Nishiura, Masayoshi; Cheng, Jianhua; Hou, Zhaomin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14215 - 14218
• a: 8.7632 ± 0.0013 Å
• b: 12.0184 ± 0.0017 Å
• c: 13.192 ± 0.0019 Å
• α: 84.425 ± 0.006°
• β: 82.784 ± 0.006°
• γ: 83.648 ± 0.006°
• Cell volume: 1365 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No