Information card for entry 4113092

Structure parameters

• Formula: C45 H59 Fe N3 Si2
• Calculated formula: C46.5 H59 Fe N3 Si2
• Title of publication: Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation
• Authors of publication: Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13794 - 13807
• a: 13.618 ± 0.0006 Å
• b: 12.4246 ± 0.0005 Å
• c: 26.3319 ± 0.001 Å
• α: 90°
• β: 102.024 ± 0.001°
• γ: 90°
• Cell volume: 4357.6 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1167
• 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