Information card for entry 4086659

Structure parameters

• Formula: C29 H22 Fe N O4 P
• Calculated formula: C29 H22 Fe N O4 P
• SMILES: [Fe]1([P](c2c(cccc2)C=[N]1c1ccc(OC)cc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls
• Authors of publication: Chu, Wan-Yi; Richers, Casseday P.; Kahle, Elizabeth R.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 17
• Pages of publication: 2782
• a: 8.6636 ± 0.0004 Å
• b: 11.5678 ± 0.0006 Å
• c: 13.4797 ± 0.0007 Å
• α: 77.8353 ± 0.0019°
• β: 72.9507 ± 0.0018°
• γ: 77.268 ± 0.002°
• Cell volume: 1244.24 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No