Information card for entry 4301577

Structure parameters

• Formula: C24 H54 Fe N2 P4
• Calculated formula: C24 H54 Fe N2 P4
• SMILES: [Fe]123([P](C(C)C)(C(C)C)CC[P]3(CC[P]1(C(C)C)C(C)C)CC[P]2(C(C)C)C(C)C)[N]#N
• Title of publication: Iron(0) and Ruthenium(0) Complexes of Dinitrogen
• Authors of publication: Leslie D. Field; Ruth W. Guest; Khuong Q. Vuong; Scott J. Dalgarno; Paul Jensen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2246 - 2253
• a: 10.3494 ± 0.0011 Å
• b: 19.028 ± 0.002 Å
• c: 15.6727 ± 0.0016 Å
• α: 90°
• β: 104.437 ± 0.002°
• γ: 90°
• Cell volume: 2988.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0297
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No