Information card for entry 4334155

Structure parameters

• Formula: C88 H166 B2 F8 Fe2 N4 O P8
• Calculated formula: C88 H166 B2 F8 Fe2 N4 O P8
• 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: 10.164 ± 0.002 Å
• b: 13.584 ± 0.003 Å
• c: 18.239 ± 0.004 Å
• α: 85.44 ± 0.03°
• β: 78.68 ± 0.03°
• γ: 83.89 ± 0.03°
• Cell volume: 2450.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No