Information card for entry 7131222

Structure parameters

• Formula: C20 H22 Fe Si
• Calculated formula: C20 H22 Fe Si
• SMILES: [Fe]12345678([c]9%10[cH]1[cH]2[cH]3[c]49[C@@H]([Si](C)(C)C)c1c%10cccc1)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Design and synthesis of a new family of planar and central chiral ferrocenyl phosphine ligands.
• Authors of publication: Ling, Li; Song, Zeli; Shan, He; Wang, Chao; Li, Shouting; Wang, Yanjiao; Hu, Jianfeng; Chen, Qian; Zhang, Hao; Yang, Yong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 19
• Pages of publication: 2739 - 2742
• a: 6.267 ± 0.005 Å
• b: 14.093 ± 0.01 Å
• c: 20.143 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1779 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No