Information card for entry 7718193

Structure parameters

• Formula: C44 H56 Fe2 I2 N4
• Calculated formula: C44 H56 Fe2 I2 N4
• 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: 12.595 ± 0.002 Å
• b: 27.76 ± 0.002 Å
• c: 14.5083 ± 0.0014 Å
• α: 90°
• β: 115.625 ± 0.011°
• γ: 90°
• Cell volume: 4573.7 ± 1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No