Information card for entry 7718199

Structure parameters

• Formula: C35 H37 Br Fe2 N2
• Calculated formula: C35 H37 Br Fe2 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: 10.7264 ± 0.0004 Å
• b: 18.7784 ± 0.0006 Å
• c: 14.9961 ± 0.0005 Å
• α: 90°
• β: 94.026 ± 0.003°
• γ: 90°
• Cell volume: 3013.13 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.038
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No