Information card for entry 4086654

Structure parameters

• Formula: C30 H28 Cl Fe N O2 P2
• Calculated formula: C30 H28 Cl Fe N O2 P2
• SMILES: [Fe]12([P](C)(C)C)([P](c3c([CH]2=[N]1c1ccc(Cl)cc1)cccc3)(c1ccccc1)c1ccccc1)(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: 10.8245 ± 0.0003 Å
• b: 11.3704 ± 0.0003 Å
• c: 12.7062 ± 0.0003 Å
• α: 104.288 ± 0.0011°
• β: 94.2083 ± 0.0011°
• γ: 115.034 ± 0.001°
• Cell volume: 1344.66 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No