Information card for entry 7116755

Structure parameters

• Formula: C18 H18 B Cu F5 N4 O3
• Calculated formula: C18 H18 B Cu F5 N4 O3
• Title of publication: Redox-induced fluoride ligand dissociation stabilized by intramolecular hydrogen bonding
• Authors of publication: Cameron M. Moore; Nathaniel K. Szymczak
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5490
• a: 15.4006 ± 0.0003 Å
• b: 9.5362 ± 0.0002 Å
• c: 28.09 ± 0.002 Å
• α: 90°
• β: 90.988 ± 0.006°
• γ: 90°
• Cell volume: 4124.8 ± 0.3 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No