Information card for entry 7131225

Structure parameters

• Formula: C17 H14 Fe
• Calculated formula: C17 H14 Fe
• SMILES: [Fe]12345678([cH]9[cH]5[c]51c1ccccc1C[c]35[cH]89)[cH]1[cH]4[cH]7[cH]2[cH]61
• 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: 7.7 ± 0.002 Å
• b: 10.814 ± 0.003 Å
• c: 29.94 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2493 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No