Information card for entry 4065037

Structure parameters

• Formula: C68 H100 B Co N8
• Calculated formula: C68 H100 B Co N8
• SMILES: [Co](=C1N(C(=C(N1C(C)C)C)C)C(C)C)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Square-Planar Cobalt Complexes with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Catalytic Application
• Authors of publication: Mo, Zhenbo; Li, Yuxue; Lee, Hung Kay; Deng, Liang
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4687
• a: 19.0429 ± 0.0016 Å
• b: 19.7805 ± 0.0016 Å
• c: 19.4011 ± 0.0016 Å
• α: 90°
• β: 116.133 ± 0.001°
• γ: 90°
• Cell volume: 6560.9 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0759
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No