Information card for entry 7007389

Structure parameters

• Chemical name: 1,1'-bis(dichlorophosphano)ferrocene
• Formula: C10 H8 Cl4 Fe P2
• Calculated formula: C10 H8 Cl4 Fe P2
• SMILES: [Fe]12345678([c]9(P(Cl)Cl)[cH]1[cH]2[cH]3[cH]49)[c]1(P(Cl)Cl)[cH]5[cH]6[cH]7[cH]81
• Title of publication: The homologous series of 1,1'-ferrocenylenebisdihalophosphanes (C5H4PX2)2Fe (X = F, Cl, Br, I): precursors for the first metallocene bridged bisphosphaalkene.
• Authors of publication: Moser, Carmen; Orthaber, Andreas; Nieger, Martin; Belaj, Ferdinand; Pietschnig, Rudolf
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 32
• Pages of publication: 3879 - 3885
• a: 6.7838 ± 0.0001 Å
• b: 11.2938 ± 0.0003 Å
• c: 17.8651 ± 0.0004 Å
• α: 90°
• β: 97.105 ± 0.002°
• γ: 90°
• Cell volume: 1358.22 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0297
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No