Information card for entry 4126490

Structure parameters

• Formula: C55 H90 B Fe N11 O1.5
• Calculated formula: C55 H90 B Fe N11 O1.5
• 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: 16.3404 ± 0.0008 Å
• b: 19.2823 ± 0.001 Å
• c: 18.4178 ± 0.001 Å
• α: 90°
• β: 103.287 ± 0.002°
• γ: 90°
• Cell volume: 5647.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No