Information card for entry 4334152

Structure parameters

• Formula: C66 H96 B Fe N2 P4
• Calculated formula: C66 H96 B Fe N2 P4
• 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: 12.7369 ± 0.0011 Å
• b: 14.099 ± 0.0013 Å
• c: 17.5151 ± 0.0017 Å
• α: 79.842 ± 0.005°
• β: 75.048 ± 0.005°
• γ: 83.82 ± 0.005°
• Cell volume: 2984.8 ± 0.5 ų
• Cell temperature: 154 ± 2 K
• Ambient diffraction temperature: 154 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1491
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No