Information card for entry 4073130

Structure parameters

• Formula: C29 H32 F3 Fe2 N O5 S
• Calculated formula: C29 H32 F3 Fe2 N O5 S
• 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: 8.2804 ± 0.0003 Å
• b: 12.4402 ± 0.0004 Å
• c: 15.0634 ± 0.0005 Å
• α: 107.47 ± 0.001°
• β: 101.819 ± 0.001°
• γ: 91.795 ± 0.001°
• Cell volume: 1441.55 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No