Information card for entry 7129242

Structure parameters

• Formula: C25 H41 B Cl2 F4 Fe N2 Si
• Calculated formula: C25 H41 B Cl2 F4 Fe N2 Si
• SMILES: [Fe]123456789[c]%10([N+](=CN([c]%115[c]6([cH]7[cH]8[cH]9%11)[Si](C)(C)C)CC(C)(C)C)CC(C)(C)C)[cH]1[cH]2[cH]3[cH]4%10.ClCCl.[B](F)(F)(F)[F-]
• 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: 10.3039 ± 0.0003 Å
• b: 12.9444 ± 0.0004 Å
• c: 11.8996 ± 0.0003 Å
• α: 90°
• β: 108.155 ± 0.002°
• γ: 90°
• Cell volume: 1508.13 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No