Information card for entry 7718197

Structure parameters

• Formula: C41 H49 Br Fe2 N2
• Calculated formula: C41 H49 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: 17.077 ± 0.0007 Å
• b: 20.682 ± 0.0007 Å
• c: 10.0448 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3547.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No