Information card for entry 4086657

Structure parameters

• Formula: C52 H38 Cl2 Fe N2 O2 P2
• Calculated formula: C52 H38 Cl2 Fe N2 O2 P2
• SMILES: [Fe]123([P](c4c([C@H](N3c3ccc(Cl)cc3)[C@@H](N2c2ccc(Cl)cc2)c2ccccc2[P]1(c1ccccc1)c1ccccc1)cccc4)(c1ccccc1)c1ccccc1)(C#[O])C#[O].[Fe]123([P](c4c([C@@H](N3c3ccc(Cl)cc3)[C@H](N2c2ccc(Cl)cc2)c2ccccc2[P]1(c1ccccc1)c1ccccc1)cccc4)(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: 22.5666 ± 0.0008 Å
• b: 11.3932 ± 0.0004 Å
• c: 40.4725 ± 0.0014 Å
• α: 90°
• β: 91.852 ± 0.002°
• γ: 90°
• Cell volume: 10400.3 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No