Information card for entry 4113985

Structure parameters

• Formula: C12 H35 Fe N P4
• Calculated formula: C12 H35 Fe N P4
• SMILES: [FeH]12([P](CC[P]1(C)C)(C)C)([P](CC[P]2(C)C)(C)C)N
• Title of publication: Synthesis of a First-Row Transition Metal Parent Amido Complex and Carbon Monoxide Insertion into the Amide N-H Bond
• Authors of publication: Daniel J. Fox; Robert G. Bergman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 8984 - 8985
• a: 9.5433 ± 0.0003 Å
• b: 12.2238 ± 0.0004 Å
• c: 16.8938 ± 0.0005 Å
• α: 90°
• β: 91.736 ± 0.002°
• γ: 90°
• Cell volume: 1969.85 ± 0.11 ų
• Cell temperature: 154.2 K
• Ambient diffraction temperature: 154.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.745
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No