Information card for entry 4084078

Structure parameters

• Formula: C31 H32 Fe2 N2 O2
• Calculated formula: C31 H32 Fe2 N2 O2
• SMILES: [Fe]123456([cH]7[cH]4[cH]3[cH]2[cH]17)C(=O)[Fe]1234([cH]7[cH]1[cH]2[cH]3[cH]47)(C5=O)C(=CN6c1c(cccc1C)C)N(C)c1c(cccc1C)C
• Title of publication: Coupling of Isocyanide and μ-Aminocarbyne Ligands in Diiron Complexes Promoted by Hydride Addition
• Authors of publication: Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 3990
• a: 8.3237 ± 0.0017 Å
• b: 14.902 ± 0.003 Å
• c: 21.21 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2630.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No