Information card for entry 7031683

Structure parameters

• Common name: CGCScNCNB
• Formula: C50 H76 B N5 Sc Si
• Calculated formula: C50 H76 B N5 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: 10.621 ± 0.004 Å
• b: 13.697 ± 0.004 Å
• c: 17.546 ± 0.006 Å
• α: 95.341 ± 0.008°
• β: 93.924 ± 0.007°
• γ: 107.176 ± 0.007°
• Cell volume: 2415.7 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1603
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No