Information card for entry 4074429

Structure parameters

• Formula: C18.38 H20.75 Cl0.75 Fe I N3 O
• Calculated formula: C18.375 H20.75 Cl0.75 Fe I N3 O
• Title of publication: Piano-Stool Iron(II) Complexes as Probes for the Bonding ofN-Heterocyclic Carbenes: Indications for π-Acceptor Ability
• Authors of publication: Mercs, Laszlo; Labat, Gaël; Neels, Antonia; Ehlers, Andreas; Albrecht, Martin
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 5648
• a: 6.5664 ± 0.0007 Å
• b: 18.2658 ± 0.0019 Å
• c: 18.5978 ± 0.0019 Å
• α: 90.35 ± 0.012°
• β: 96.867 ± 0.012°
• γ: 92.036 ± 0.012°
• Cell volume: 2213.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No