Information card for entry 4073131

Structure parameters

• Formula: C23 H25 Cl2 Fe2 N O6
• Calculated formula: C23 H25 Cl2 Fe2 N O6
• SMILES: ClCCl.[Fe]123456([Fe]789%10%11%12%13([C]1(N(/C=C/C(=O)OC)C)=[CH]9[C]7(=[C]28O)C(=O)OC)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Alkyne−Isocyanide Coupling in [Fe2(CNMe)(CO)3(Cp)2]: A New Route to Diiron μ-Vinyliminium Complexes†
• Authors of publication: Albano, Vincenzo G.; Busetto, Luigi; Marchetti, Fabio; Monari, Magda; Zacchini, Stefano; Zanotti, Valerio
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3448
• a: 9.0847 ± 0.0018 Å
• b: 35.133 ± 0.007 Å
• c: 8.4489 ± 0.0017 Å
• α: 90°
• β: 115.43 ± 0.03°
• γ: 90°
• Cell volume: 2435.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0911
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No