Information card for entry 7129241

Structure parameters

• Formula: C28 H35 Fe Ge N2 P Si2
• Calculated formula: C28 H35 Fe Ge N2 P Si2
• SMILES: [c]123[Fe]456789%10%11[c]2([cH]4[cH]5[cH]36)[P]([Ge](N1[Si](C)(C)C)N([Si](C)(C)C)[c]17[cH]8[cH]9[cH]%10[cH]%111)(c1ccccc1)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: 14.815 ± 0.0005 Å
• b: 11.115 ± 0.0002 Å
• c: 18.0884 ± 0.0006 Å
• α: 90°
• β: 104.095 ± 0.003°
• γ: 90°
• Cell volume: 2888.92 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No