Information card for entry 4071882

Structure parameters

• Formula: C38.5 H40 Cl3 Fe2 N3 O4
• Calculated formula: C38.5 H40 Cl3 Fe2 N3 O4
• SMILES: [Fe]12345([cH]6[cH]1[cH]2[cH]3[cH]46)(C#[O])C(=N\c1c(cccc1C)C)/C(C(=O)OC)=C1C(N(C)C)=[Fe]2346([cH]7[cH]3[cH]4[cH]6[cH]27)(C#[O])C1=[N]5c1c(cccc1C)C.C(Cl)Cl.C(Cl)Cl
• 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: 11.013 ± 0.002 Å
• b: 11.506 ± 0.002 Å
• c: 14.818 ± 0.003 Å
• α: 94.56 ± 0.03°
• β: 93.89 ± 0.03°
• γ: 95.94 ± 0.03°
• Cell volume: 1856.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0418
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No