Information card for entry 7709297

Structure parameters

• Formula: C18 H18 Fe2 N2 O2
• Calculated formula: C18 H18 Fe2 N2 O2
• SMILES: [Fe]123456([Fe]789%10%11%12([CH2]=[CH]7CN(C18C#N)C)(C2=O)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31
• Title of publication: Cyanide-alkene competition in a diiron complex and isolation of a multisite (cyano)alkylidene-alkene species.
• Authors of publication: Bresciani, Giulio; Schoch, Silvia; Biancalana, Lorenzo; Zacchini, Stefano; Bortoluzzi, Marco; Pampaloni, Guido; Marchetti, Fabio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 1936 - 1945
• a: 9.0058 ± 0.0012 Å
• b: 24.672 ± 0.003 Å
• c: 7.7615 ± 0.0011 Å
• α: 90°
• β: 114.513 ± 0.005°
• γ: 90°
• Cell volume: 1569.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2126
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No