Information card for entry 1531314

Structure parameters

• Common name: ScCOMePy
• Formula: C59 H79 B N4 O Sc Si
• Calculated formula: C59 H79 B N4 O Sc Si
• Title of publication: Isolation, structure and reactivity of a scandium boryl oxycarbene complex
• Authors of publication: Wang, Baoli; Kang, Xiaohui; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• a: 12.7148 ± 0.0012 Å
• b: 14.2837 ± 0.0016 Å
• c: 15.4973 ± 0.0017 Å
• α: 102.293 ± 0.004°
• β: 99.228 ± 0.004°
• γ: 91.066 ± 0.004°
• Cell volume: 2710.3 ± 0.5 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: 0.0508
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1154
• 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