Information card for entry 4334372

Structure parameters

• Formula: C22 H54 Fe N2 P4
• Calculated formula: C22 H54 Fe N2 P4
• SMILES: [FeH]123([P](CC)(CC)CN(C)C3[P]1(CC)CC)[P](CC)(CC)CN(C)C[P]2(CC)CC
• Title of publication: Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine
• Authors of publication: Zachariah M. Heiden; Shentan Chen; Michael T. Mock; William G. Dougherty; W. Scott Kassel; Roger Rousseau; R. Morris Bullock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4026 - 4039
• a: 10.2019 ± 0.0012 Å
• b: 16.764 ± 0.002 Å
• c: 16.945 ± 0.0019 Å
• α: 88.39 ± 0.004°
• β: 89.899 ± 0.004°
• γ: 85.777 ± 0.004°
• Cell volume: 2889 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No