Information card for entry 4084192

Structure parameters

• Formula: C22 H18 Cl2 Fe2 N2 Pt
• Calculated formula: C22 H18 Cl2 Fe2 N2 Pt
• SMILES: C([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)#[N][Pt]([N]#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)(Cl)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: 9.4599 ± 0.0002 Å
• b: 11.8122 ± 0.0006 Å
• c: 37.4511 ± 0.0011 Å
• α: 89.585 ± 0.003°
• β: 89.441 ± 0.002°
• γ: 87.676 ± 0.003°
• Cell volume: 4181.1 ± 0.3 ų
• Cell temperature: 106.4 ± 0.5 K
• Ambient diffraction temperature: 106.4 ± 0.5 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: 0.1093
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2703
• Weighted residual factors for all reflections included in the refinement: 0.2795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No