Information card for entry 4127318

Structure parameters

• Formula: C44 H18 B Cu F23 N5 O
• Calculated formula: C44 H18 B Cu F22.997 N5 O
• Title of publication: Copper(I) Complex Mediated Nitric Oxide Reductive Coupling: Ligand Hydrogen Bonding Derived Proton Transfer Promotes N₂O_(g) Release.
• Authors of publication: Wijeratne, Gayan B.; Bhadra, Mayukh; Siegler, Maxime A.; Karlin, Kenneth D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 13.7356 ± 0.0003 Å
• b: 21.0255 ± 0.0006 Å
• c: 14.9229 ± 0.0004 Å
• α: 90°
• β: 98.498 ± 0.003°
• γ: 90°
• Cell volume: 4262.39 ± 0.19 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No