Information card for entry 7223820

Structure parameters

• Common name: FcPH2
• Formula: C10 H11 Fe P
• Calculated formula: C10 H11 Fe P
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)P)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 12.658 ± 0.01 Å
• b: 7.528 ± 0.005 Å
• c: 10.432 ± 0.008 Å
• α: 90°
• β: 112.071 ± 0.018°
• γ: 90°
• Cell volume: 921.2 ± 1.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• 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: 0.114
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.245
• Weighted residual factors for all reflections included in the refinement: 0.2629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No