Information card for entry 4127123

Structure parameters

• Formula: C45 H72 B Co F4 N6
• Calculated formula: C45 H72 B Co F4 N6
• SMILES: [Co](=C1N(C=CN1C1CCCCC1)C1CCCCC1)(=C1N(C=CN1C1CCCCC1)C1CCCCC1)=C1N(C=CN1C1CCCCC1)C1CCCCC1.[B](F)(F)(F)[F-]
• Title of publication: Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.
• Authors of publication: Gao, Yafei; Li, Guangyu; Deng, Liang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 12.5874 ± 0.0018 Å
• b: 18.994 ± 0.003 Å
• c: 18.792 ± 0.003 Å
• α: 90°
• β: 96.575 ± 0.003°
• γ: 90°
• Cell volume: 4463.3 ± 1.2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0894
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No