Information card for entry 4086649

Structure parameters

• Formula: C35 H38 B Fe N4 O3
• Calculated formula: C35 H38 B Fe N4 O3
• 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: 8.7519 ± 0.0007 Å
• b: 18.4759 ± 0.0017 Å
• c: 11.7496 ± 0.0011 Å
• α: 90°
• β: 110.301 ± 0.002°
• γ: 90°
• Cell volume: 1781.9 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections: 0.3081
• Weighted residual factors for significantly intense reflections: 0.2859
• Weighted residual factors for all reflections included in the refinement: 0.3081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9703
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No