Information card for entry 7718200

Structure parameters

• Formula: C19 H25 Fe I N2
• Calculated formula: C19 H25 Fe I N2
• Title of publication: The “pogo stick” complex [FeCp*{N(SiMe3)2}]: spin state properties, adduct formation with Lewis bases, and reactivity towards weakly Brønsted acidic protonated NHCs
• Authors of publication: Zinke, Julian; Bruhn, Clemens; Demeshko, Serhiy; Siemeling, Ulrich
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 5812 - 5828
• a: 14.1651 ± 0.001 Å
• b: 17.6905 ± 0.0012 Å
• c: 22.2919 ± 0.0016 Å
• α: 67.201 ± 0.005°
• β: 72.354 ± 0.006°
• γ: 70.236 ± 0.005°
• Cell volume: 4750 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No