Information card for entry 7117089

Structure parameters

• Formula: C40 H38 Cl2 Fe2 N2 O2
• Calculated formula: C40 H38 Cl2 Fe2 N2 O2
• Title of publication: Carbon monoxide-isocyanide coupling promoted by acetylide addition to a diiron complex
• Authors of publication: Fabio Marchetti; Stefano Zacchini; Valerio Zanotti
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8101
• a: 10.271 ± 0.002 Å
• b: 20.397 ± 0.004 Å
• c: 17.702 ± 0.004 Å
• α: 90°
• β: 105.15 ± 0.03°
• γ: 90°
• Cell volume: 3579.6 ± 1.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No