Information card for entry 4071881

Structure parameters

• Formula: C35 H34 Fe2 N2 O4
• Calculated formula: C35 H34 Fe2 N2 O4
• SMILES: [Fe]1234567([Fe]89%10%11([cH]%12[cH]%11[cH]%10[cH]9[cH]8%12)(C#[O])(C5=O)C6(C(C=7N(C)c5c(cccc5C)C)=C=Nc5c(cccc5C)C)C(=O)OC)[cH]5[cH]4[cH]3[cH]2[cH]15
• Title of publication: Addition of Isocyanides at Diiron μ-Vinyliminium Complexes: Synthesis of Novel Ketenimine−Bis(alkylidene) Complexes
• Authors of publication: Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5058
• a: 13.849 ± 0.003 Å
• b: 13.765 ± 0.003 Å
• c: 17.266 ± 0.004 Å
• α: 90°
• β: 112.71 ± 0.03°
• γ: 90°
• Cell volume: 3036.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No