Information card for entry 4087830

Structure parameters

• Formula: C63 H60 Fe N8
• Calculated formula: C63 H60 Fe N8
• SMILES: [Fe]12(N(N=[N]1C(=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(N(N=[N]2C(c1ccccc1)=C(c1ccccc1)c1ccccc1)c1ccccc1)=C1N(C(=C(N1C(C)C)C)C)C(C)C
• Title of publication: Three-Coordinate Iron(II) Dialkenyl Compound with NHC Ligation: Synthesis, Structure, and Reactivity
• Authors of publication: Liu, Yuesheng; Wang, Lei; Deng, Liang
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 4401
• a: 12.091 ± 0.005 Å
• b: 14.611 ± 0.006 Å
• c: 16.613 ± 0.007 Å
• α: 97.527 ± 0.01°
• β: 101.221 ± 0.009°
• γ: 97.125 ± 0.009°
• Cell volume: 2820 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No