Information card for entry 1546743

Structure parameters

• Formula: C84 H136 Cl6 Li2 O10 Sc4 Si4
• Calculated formula: C84 H136 Cl6 Li2 O10 Sc4 Si4
• SMILES: [Sc]123(Cl)(Cl)[C]4([Sc]567([Cl][Sc]89%10([Cl]5)([O]5CCCC5)[C]5([Sc]%11%12(Cl)(Cl)[C]8=5([C]9%11(=[C]%10%12[Si](C)(C)C)c5ccccc5)c5ccccc5)[Si](C)(C)C)([O]5CCCC5)[C]1=4([C]26(=[C]37[Si](C)(C)C)c1ccccc1)c1ccccc1)[Si](C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Li]([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: 12.1887 ± 0.0006 Å
• b: 12.7433 ± 0.0007 Å
• c: 16.8304 ± 0.001 Å
• α: 83.56 ± 0.005°
• β: 75.676 ± 0.005°
• γ: 74.313 ± 0.005°
• Cell volume: 2435.7 ± 0.2 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 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: 0.0888
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No