Information card for entry 4083821

Structure parameters

• Formula: C25 H24 Fe2 N2
• Calculated formula: C25 H24 Fe2 N2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[c]19C=C)/N=C/N[c]12[Fe]349%10%11%12%13([c]1([cH]3[cH]4[cH]29)C=C)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: A Novel Chiral Ferrocene-Based Amidine/Amidinato Ligand and Its Rhodium Complexes
• Authors of publication: Bertogg, Andreas; Togni, Antonio
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 622 - 630
• a: 13.4972 ± 0.0009 Å
• b: 11.6567 ± 0.0008 Å
• c: 13.6483 ± 0.0009 Å
• α: 90°
• β: 109.357 ± 0.001°
• γ: 90°
• Cell volume: 2025.9 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4074734
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No