Information card for entry 4126489

Structure parameters

• Common name: WTL-67
• Formula: C33 H50 B Fe N7
• Calculated formula: C33.0001 H50.0001 B Fe N7
• Title of publication: Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride.
• Authors of publication: Martinez, Jorge L.; Lin, Hsiu-Jung; Lee, Wei-Tsung; Pink, Maren; Chen, Chun-Hsing; Gao, Xinfeng; Dickie, Diane A.; Smith, Jeremy M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.302 ± 0.002 Å
• b: 10.302 ± 0.002 Å
• c: 19.677 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1808.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1633
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No