Information card for entry 4088605

Structure parameters

• Formula: C18 H20 Fe N O4 P
• Calculated formula: C18 H20 Fe N O4 P
• SMILES: [Fe]([P]1(N(C(C)C)C(C)C)C(=C1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: iPr2N‒P═Fe(CO)4 in Olefinic Solvents: A Reservoir of a Transient Phosphinidene Complex Capable of Substrate Hopping
• Authors of publication: Wit, Jan B. M.; de Jong, G. Bas; Schakel, Marius; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris; Lammertsma, Koop
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1170
• a: 8.7551 ± 0.0002 Å
• b: 9.5037 ± 0.0002 Å
• c: 11.971 ± 0.0002 Å
• α: 98.0645 ± 0.0013°
• β: 96.1747 ± 0.0011°
• γ: 93.5514 ± 0.0011°
• Cell volume: 977.48 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0341
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No