Information card for entry 4086653

Structure parameters

• Formula: C28 H19 Cl Fe N O3 P
• Calculated formula: C28 H19 Cl Fe N O3 P
• SMILES: [Fe]12([P](c3c([CH]2=[N]1c1ccc(Cl)cc1)cccc3)(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: 10.491 ± 0.0003 Å
• b: 16.4005 ± 0.0005 Å
• c: 14.4413 ± 0.0004 Å
• α: 90°
• β: 98.8312 ± 0.0017°
• γ: 90°
• Cell volume: 2455.28 ± 0.12 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No