Information card for entry 7000412

Structure parameters

• Formula: C26 H29 Cl2 Cu F3 N4 O9
• Calculated formula: C26 H29 Cl2 Cu F3 N4 O9
• Title of publication: Galactose oxidase models: insights from 19F NMR spectroscopy
• Authors of publication: Michel, Fabien; Hamman, Sylvain; Philouze, Christian; Del Valle, Carlos Perez; Saint-Aman, Eric; Thomas, Fabrice
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 5
• Pages of publication: 832 - 842
• a: 8.672 ± 0.003 Å
• b: 40.05 ± 0.02 Å
• c: 8.855 ± 0.005 Å
• α: 90°
• β: 101.2 ± 0.1°
• γ: 90°
• Cell volume: 3017 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0396
• Goodness-of-fit parameter for all reflections: 1.376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.376
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No