Information card for entry 4070963

Structure parameters

• Formula: C46 H64 Fe N6
• Calculated formula: C46 H64 Fe N6
• SMILES: [Fe]12([N](C)(C)CCN1/C(=N/c1c(cccc1C(C)C)C(C)C)c1ccccc1)[N](C)(C)CCN2C(=N\c1c(cccc1C(C)C)C(C)C)\c1ccccc1
• Title of publication: Neutral and Cationic Paramagnetic Amino-amidinate Iron(II) Complexes:19F NMR Evidence for Interactions with Weakly Coordinating Anions
• Authors of publication: Sciarone, Timo J. J.; Nijhuis, Christian A.; Meetsma, Auke; Hessen, Bart
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 9
• Pages of publication: 2058
• a: 17.6967 ± 0.0008 Å
• b: 18.5086 ± 0.0009 Å
• c: 25.923 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8490.8 ± 0.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No