Information card for entry 1546745

Structure parameters

• Formula: C38 H60 Cl2 Li O4 Sc Si2
• Calculated formula: C38 H60 Cl2 Li O4 Sc Si2
• SMILES: [Sc]12(C([Si](C)(C)C)=C(C(=C1[Si](C)(C)C)c1ccccc1)c1ccccc1)([Cl][Li]([Cl]2)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes
• Authors of publication: Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 12.597 ± 0.0016 Å
• b: 13.4393 ± 0.0015 Å
• c: 15.161 ± 0.003 Å
• α: 89.102 ± 0.012°
• β: 69.72 ± 0.016°
• γ: 89.532 ± 0.01°
• Cell volume: 2407.3 ± 0.7 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 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: 0.1991
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No