Information card for entry 2220286

Structure parameters

• Chemical name: (S~p~)-1-Diphenylphosphanyl-2-{(<i>S</i>)-[2- (diphenylphosphanyl)phenyl]hydroxymethyl}ferrocene
• Formula: C41 H34 Fe O P2
• Calculated formula: C41 H34 Fe O P2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[c]49P(c1ccccc1)c1ccccc1)[C@@H](O)c1ccccc1P(c1ccccc1)c1ccccc1)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: (<i>S~p~</i>)-1-Diphenylphosphanyl-2-{(<i>S</i>)-[2-(diphenylphosphanyl)phenyl]hydroxymethyl}ferrocene
• Authors of publication: Bats, Jan W.; Doppiu, Angelino; Rivas Nass, Andreas; Hashmi, A. Stephen K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1585
• a: 11.6111 ± 0.0015 Å
• b: 8.6154 ± 0.001 Å
• c: 16.481 ± 0.002 Å
• α: 90°
• β: 97.807 ± 0.012°
• γ: 90°
• Cell volume: 1633.4 ± 0.3 ų
• Cell temperature: 162 ± 2 K
• Ambient diffraction temperature: 162 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes