Information card for entry 4086249

Structure parameters

• Formula: C56 H68 B Fe N6 O5
• Calculated formula: C56 H68 B Fe N6 O5
• Title of publication: Low-Valent Iron Carbonyl Complexes with a Tripodal Carbene Ligand
• Authors of publication: Hickey, Anne K.; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4560
• a: 12.5758 ± 0.0009 Å
• b: 17.946 ± 0.0012 Å
• c: 22.3934 ± 0.0014 Å
• α: 90°
• β: 91.29 ± 0.003°
• γ: 90°
• Cell volume: 5052.6 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1269
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections: 0.2404
• Weighted residual factors for significantly intense reflections: 0.2018
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No