Information card for entry 7718195

Structure parameters

• Formula: C40 H54 Cl Fe N2
• Calculated formula: C40 H54 Cl Fe 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: 11.6577 ± 0.0003 Å
• b: 20.9198 ± 0.0004 Å
• c: 15.6499 ± 0.0004 Å
• α: 90°
• β: 102.915 ± 0.002°
• γ: 90°
• Cell volume: 3720.1 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No