Information card for entry 4341997

Structure parameters

• Formula: C24 H30 B Co F4 N4
• Calculated formula: C24 H30 B Co F4 N4
• SMILES: [Co]123N4CCCCC[N]3=C3C=CC=CC=C3N2CCCCC[N]1=C1C=CC=CC=C41.[B](F)(F)(F)[F-]
• Title of publication: Synthesis and Characterization of Mononuclear, Pseudotetrahedral Cobalt(III) Compounds.
• Authors of publication: Kozhukh, Julia; Minier, Mikael A.; Lippard, Stephen J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 418 - 424
• a: 11.137 ± 0.008 Å
• b: 24.04 ± 0.019 Å
• c: 8.549 ± 0.007 Å
• α: 90°
• β: 105.35 ± 0.02°
• γ: 90°
• Cell volume: 2207 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No