Information card for entry 7031685

Structure parameters

• Formula: C65 H105 B Cl Li N3 O8 Sc Si
• Calculated formula: C65 H101.5 B Cl Li N3 O8 Sc Si
• 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: 12.3886 ± 0.0014 Å
• b: 17.623 ± 0.002 Å
• c: 17.974 ± 0.002 Å
• α: 66.157 ± 0.002°
• β: 85.712 ± 0.002°
• γ: 76.132 ± 0.002°
• Cell volume: 3483.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2712
• Weighted residual factors for all reflections included in the refinement: 0.3139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No