Information card for entry 7131228

Structure parameters

• Formula: C23 H17 Cl Fe S
• Calculated formula: C23 H17 Cl Fe S
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]12[c]5([cH]6[cH]7[cH]81)C(Sc1ccc(Cl)cc1)c1ccccc21
• 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: 6.0004 ± 0.001 Å
• b: 21.296 ± 0.004 Å
• c: 14.418 ± 0.002 Å
• α: 90°
• β: 99.583 ± 0.003°
• γ: 90°
• Cell volume: 1816.7 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No