Information card for entry 7007390

Structure parameters

• Common name: 1,1'-bis(dibromophosphano)ferrocene
• Chemical name: 1,1'-bis(dibromophosphano)ferrocene
• Formula: C10 H8 Br4 Fe P2
• Calculated formula: C10 H8 Br4 Fe P2
• SMILES: [Fe]12345678([c]9([cH]5[cH]6[cH]7[cH]89)P(Br)Br)[c]5([cH]1[cH]2[cH]3[cH]45)P(Br)Br
• 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: 13.647 ± 0.004 Å
• b: 8.992 ± 0.002 Å
• c: 13.668 ± 0.003 Å
• α: 90°
• β: 119.01 ± 0.018°
• γ: 90°
• Cell volume: 1466.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No