Information card for entry 4070964

Structure parameters

• Formula: C34 H48 Cl Fe N3 O5
• Calculated formula: C26 H32 Cl Fe N3 O3
• SMILES: [Fe]12(Cl)([N](C)(C)CC[N]1=C(N(c1c(cccc1C(C)C)C(C)C)C2=O)c1ccccc1)(C#[O])C#[O]
• 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: 9.4467 ± 0.0008 Å
• b: 20.014 ± 0.002 Å
• c: 18.161 ± 0.002 Å
• α: 90°
• β: 96.305 ± 0.001°
• γ: 90°
• Cell volume: 3412.9 ± 0.6 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• 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: 0.1007
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No