Information card for entry 4084054

Structure parameters

• Formula: C23 H23 Cl2 Fe N Zn
• Calculated formula: C23 H23 Cl2 Fe N Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c3c(cccc3ccc2)[C]23[Fe]456789%10([C]=2([C]4(=[C]5([C]136C)C)C)C)[cH]1[cH]7[cH]8[cH]9[cH]%101
• Title of publication: Novel Reactivity of Ferrocene Derivatives toward Lewis Acids: Decomplexation with Boron Trichloride and Synthesis of a Triple-Decker-like Iron−Zinc Complex†
• Authors of publication: Enders, Markus; Ludwig, Gunter; Pritzkow, Hans
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 3856
• a: 8.5871 ± 0.0001 Å
• b: 8.8698 ± 0.0001 Å
• c: 15.6731 ± 0.0002 Å
• α: 106.293 ± 0.001°
• β: 90.759 ± 0.001°
• γ: 114.176 ± 0.001°
• Cell volume: 1034.06 ± 0.02 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No