Information card for entry 2221235

Structure parameters

• Common name: 2,2-Dichloro-1-ferrocenylethylene
• Chemical name: (2,2-Dichlorovinyl)ferrocene
• Formula: C12 H10 Cl2 Fe
• Calculated formula: C12 H10 Cl2 Fe
• SMILES: C(=C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)(Cl)Cl
• Title of publication: (2,2-Dichlorovinyl)ferrocene
• Authors of publication: Clément, Sébastien; Guyard, Laurent; Knorr, Michael; Gessner, Viktoria H.; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m334
• a: 14.34 ± 0.003 Å
• b: 7.437 ± 0.0015 Å
• c: 10.932 ± 0.002 Å
• α: 90°
• β: 108.48 ± 0.03°
• γ: 90°
• Cell volume: 1105.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0846
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes