Information card for entry 7129237

Structure parameters

• Formula: C32 H50 Cl Fe N2 Rh Si
• Calculated formula: C32 H50 Cl Fe N2 Rh Si
• SMILES: [Rh]123(Cl)(=C4N([c]56[Fe]789%10%11%12%13([c]5([cH]7[cH]8[cH]69)[Si](C)(C)C)[c]5(N4CC(C)(C)C)[cH]%10[cH]%11[cH]%12[cH]%135)CC(C)(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• 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: 10.0905 ± 0.0005 Å
• b: 18.0609 ± 0.0009 Å
• c: 18.3689 ± 0.0009 Å
• α: 96.23 ± 0.004°
• β: 98.922 ± 0.004°
• γ: 94.876 ± 0.004°
• Cell volume: 3269.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No