Information card for entry 2220288

Structure parameters

• Chemical name: (<i>R</i>~p~)-1-{(<i>R</i>)-(Dimethylamino)[2- (diphenylphosphanyl)phenyl]methyl-2-(diphenylphosphanyl)ferrocene chloroform solvate
• Formula: C44 H40 Cl3 Fe N P2
• Calculated formula: C44 H40 Cl3 Fe N P2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[c]19P(c1ccccc1)c1ccccc1)[C@H](N(C)C)c1ccccc1P(c1ccccc1)c1ccccc1)[cH]1[cH]5[cH]6[cH]7[cH]81.ClC(Cl)Cl
• Title of publication: (<i>R</i>~p~)-1-{(<i>R</i>)-(Dimethylamino)[2-(diphenylphosphanyl)phenyl]methyl}-2-(diphenylphosphanyl)ferrocene chloroform solvate
• Authors of publication: Bats, Jan W.; Rivas Nass, Andreas; Doppiu, Angelino; Karch, Ralf; Hashmi, A. Stephen K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1639
• a: 10.6051 ± 0.0011 Å
• b: 11.8922 ± 0.001 Å
• c: 30.625 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3862.4 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes