Information card for entry 4084194

Structure parameters

• Formula: C22 H18 Cl2 Fe2 N2 Pt
• Calculated formula: C22 H18 Cl2 Fe2 N2 Pt
• SMILES: [c]12([cH]3[cH]4[Fe]5678923([cH]1[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81)C#[N][Pt](Cl)([N]#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)Cl
• Title of publication: From Ferrocenecarbonitriles to Ferrocenylimines: Synthesis, Structure, and Reaction Chemistry
• Authors of publication: Strehler, Frank; Hildebrandt, Alexander; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 16
• Pages of publication: 4279
• a: 5.9712 ± 0.0003 Å
• b: 8.2149 ± 0.0004 Å
• c: 20.9305 ± 0.0011 Å
• α: 90°
• β: 97.979 ± 0.005°
• γ: 90°
• Cell volume: 1016.76 ± 0.09 ų
• Cell temperature: 103.55 ± 0.1 K
• Ambient diffraction temperature: 103.55 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0345
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No