Information card for entry 7000411

Structure parameters

• Formula: C62 H69 Cl4 Cu2 F2 N9 O20
• Calculated formula: C62 H69 Cl4 Cu2 F2 N9 O20
• 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: 12.006 ± 0.003 Å
• b: 17.558 ± 0.004 Å
• c: 18.513 ± 0.002 Å
• α: 67.13 ± 0.01°
• β: 73.91 ± 0.01°
• γ: 82.21 ± 0.02°
• Cell volume: 3453.2 ± 1.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections: 1.977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No