Information card for entry 4334154

Structure parameters

• Formula: C42 H80 Fe P4
• Calculated formula: C42 H80 Fe P4
• SMILES: [FeH2]123[P](CC[P]1(C1CCCCC1)C1CCCCC1)(CC[P]2(C1CCCCC1)C1CCCCC1)CC[P]3(C1CCCCC1)C1CCCCC1
• Title of publication: Low Oxidation State Iron(0), Iron(I), and Ruthenium(0) Dinitrogen Complexes with a Very Bulky Neutral Phosphine Ligand
• Authors of publication: Ryan Gilbert-Wilson; Leslie D. Field; Stephen B. Colbran; Mohan M. Bhadbhade
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3043 - 3053
• a: 13.7011 ± 0.0009 Å
• b: 16.1969 ± 0.0011 Å
• c: 19.7521 ± 0.0013 Å
• α: 80.32 ± 0.003°
• β: 83.021 ± 0.003°
• γ: 78.371 ± 0.003°
• Cell volume: 4214.7 ± 0.5 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No