Information card for entry 4344992

Structure parameters

• Formula: C20 H20 B2 Co F8 N12
• Calculated formula: C20 H20 B2 Co F8 N12
• SMILES: [B](F)(F)(F)[F-].c1cc[n]2n1C1n3ccc[n]3[Co]342([n]2cccn2C(n2ccc[n]32)n2ccc[n]42)[n]2cccn12.[B](F)(F)(F)[F-]
• Title of publication: Paramagnetic Resonance of Cobalt(II) Trispyrazolylmethanes and Counterion Association.
• Authors of publication: Marts, Amy R.; Kaine, Joshua C.; Baum, Robert R.; Clayton, Vivien L.; Bennett, Jami R.; Cordonnier, Laura J.; McCarrick, Robert; Hasheminasab, Abed; Crandall, Laura A.; Ziegler, Christopher J.; Tierney, David L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 618 - 626
• a: 10.3282 ± 0.0005 Å
• b: 7.7874 ± 0.0004 Å
• c: 16.8891 ± 0.0009 Å
• α: 90°
• β: 101.963 ± 0.002°
• γ: 90°
• Cell volume: 1328.89 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0774
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No