Information card for entry 7120298

Structure parameters

• Chemical name: [Fe(depe)2N2(SiMe3)][BArF4]
• Formula: C55 H69 B F24 Fe N2 P4 Si
• Calculated formula: C55 H69 B F23.805 Fe N2 P4 Si
• Title of publication: Cationic silyldiazenido complexes of the Fe(diphosphine)2(N2) platform: structural and electronic models for an elusive first intermediate in N2 fixation
• Authors of publication: Piascik, Adam D.; Hill, Peter J.; Crawford, Andrew D.; Doyle, Laurence R.; Green, Jennifer; Ashley, Andrew Edward
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 12.9303 ± 0.0004 Å
• b: 19.1287 ± 0.0006 Å
• c: 26.3957 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6528.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.05 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0789
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No