Information card for entry 7050683

Structure parameters

• Formula: C10 H12 B Cu F4 N2 O
• Calculated formula: C10 H10 B Cu F4 N2 O
• Title of publication: Chemistry of the copper(I)‒water bond. Some new observations
• Authors of publication: Naskar, Jnan P.; Chowdhury, Shubhamoy; Drew, Michael G. B.; Datta, Dipankar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 170
• a: 15.08 ± 0.02 Å
• b: 9.895 ± 0.014 Å
• c: 8.7 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1298 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No