Information card for entry 4088243

Structure parameters

• Formula: C48 H70 Li Lu O8 Si2
• Calculated formula: C48 H70 Li Lu O8 Si2
• SMILES: [Lu]123456789(C(=C(C(=C1[Si](C)(C)C)c1ccccc1)c1ccccc1)[Si](C)(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]9[cH]8[cH]7[cH]61.[Li]123456([O]7CC[O]3CC[O]2CC[O]1CC7)[O]1CC[O]4CC[O]5CC[O]6CC1
• Title of publication: Sandwich Lutetacyclopentadiene with the Coordination of Lithium to the Diene Unit: Synthesis, Structure, and Transformation
• Authors of publication: Xu, Ling; Wang, Yang; Wang, Yu-Chen; Wang, Zitao; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 35
• Journal issue: 1
• Pages of publication: 5
• a: 10.8541 ± 0.0002 Å
• b: 22.2946 ± 0.0005 Å
• c: 20.2234 ± 0.0005 Å
• α: 90°
• β: 92.455 ± 0.002°
• γ: 90°
• Cell volume: 4889.32 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No