Information card for entry 4086650

Structure parameters

• Formula: C76 H104 B2 Fe2 K2 N8 O9
• Calculated formula: C76 H104 B2 Fe2 K2 N8 O9
• Title of publication: A Bidentate Carbene Ligand Stabilizes a Low-Coordinate Iron(0) Carbonyl Complex
• Authors of publication: Hickey, Anne K.; Lee, Wei-Tsung; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 17
• Pages of publication: 3069
• a: 19.2814 ± 0.0008 Å
• b: 10.6535 ± 0.0004 Å
• c: 20.1649 ± 0.0008 Å
• α: 90°
• β: 111.215 ± 0.002°
• γ: 90°
• Cell volume: 3861.4 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.1429
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9778
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No