Information card for entry 4127126

Structure parameters

• Formula: C42 H78 Co N6 Si2
• Calculated formula: C42 H78 Co N6 Si2
• SMILES: C1(N(C=CN1C1CCCCC1)C1CCCCC1)=[Co]1(N([Si](CC)(CC)CC)N1[Si](CC)(CC)CC)=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: 22.367 ± 0.003 Å
• b: 12.0335 ± 0.0019 Å
• c: 18.857 ± 0.005 Å
• α: 90°
• β: 118.407 ± 0.002°
• γ: 90°
• Cell volume: 4464.3 ± 1.5 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No