Information card for entry 7117090

Structure parameters

• Formula: C42 H43 Fe2 N2 O2.5
• Calculated formula: C42 H43 Fe2 N2 O2.5
• 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: 16.505 ± 0.003 Å
• b: 14.661 ± 0.003 Å
• c: 17.918 ± 0.003 Å
• α: 90°
• β: 111.59 ± 0.002°
• γ: 90°
• Cell volume: 4031.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1502
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2346
• Weighted residual factors for all reflections included in the refinement: 0.282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No