Information card for entry 7223821

Structure parameters

• Common name: FcPCl2
• Formula: C10 H9 Cl2 Fe P
• Calculated formula: C10 H9 Cl2 Fe P
• SMILES: [Fe]12345678([c]9(P(Cl)Cl)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: An efficient, scalable synthesis of ferrocenylphosphine and dichloroferrocenylphosphine
• Authors of publication: Surgenor, Brian; Taylor, Laurence J.; Nordheider, Andreas; Slawin, Alexandra; Arachchige, Kasun; Woollins, J. D.; Kilian, Petr
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.9787 ± 0.0013 Å
• b: 13.2924 ± 0.0012 Å
• c: 13.6674 ± 0.0013 Å
• α: 90°
• β: 110.613 ± 0.008°
• γ: 90°
• Cell volume: 2206.9 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0766
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No