Information card for entry 7129240

Structure parameters

• Formula: C24 H19 Fe I N2
• Calculated formula: C24 H19 Fe I N2
• SMILES: I[c]12[Fe]3456789([c]1(/N=C/c1ccccc1)[cH]3[cH]4[cH]25)[c]1([cH]9[cH]8[cH]7[cH]61)/N=C/c1ccccc1
• Title of publication: Planar-chiral 1,1’-diaminoferrocenes
• Authors of publication: Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 11.3314 ± 0.0005 Å
• b: 13.1595 ± 0.0006 Å
• c: 14.7468 ± 0.0007 Å
• α: 109.107 ± 0.004°
• β: 100.846 ± 0.004°
• γ: 98.487 ± 0.004°
• Cell volume: 1988.2 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No