Information card for entry 4301575

Structure parameters

• Formula: C48 H74 B Cl Fe P4
• Calculated formula: C48 H74 B Cl Fe P4
• SMILES: [Fe]123(Cl)[P](C(C)C)(C(C)C)CC[P]1(CC[P]2(C(C)C)C(C)C)CC[P]3(C(C)C)C(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 17.6683 ± 0.0006 Å
• b: 11.3881 ± 0.0003 Å
• c: 24.6295 ± 0.0008 Å
• α: 90°
• β: 105.816 ± 0.002°
• γ: 90°
• Cell volume: 4768 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No