Information card for entry 4127119

Structure parameters

• Formula: C45 H72 Co N8
• Calculated formula: C45 H72 Co N8
• SMILES: [Co]([N]#N)(=C1N(C=CN1C1CCCCC1)C1CCCCC1)(=C1N(C=CN1C1CCCCC1)C1CCCCC1)=C1N(C=CN1C1CCCCC1)C1CCCCC1
• 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: 14.866 ± 0.006 Å
• b: 18.861 ± 0.007 Å
• c: 15.583 ± 0.006 Å
• α: 90°
• β: 90.484 ± 0.008°
• γ: 90°
• Cell volume: 4369 ± 3 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• 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: 0.1724
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2172
• Weighted residual factors for all reflections included in the refinement: 0.2663
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No