Information card for entry 7101454

Structure parameters

• Formula: C29 H29 Cl Cu F N5 O7
• Calculated formula: C29 H29 Cl Cu F N5 O7
• Title of publication: Galactose Oxidase models: 19F NMR as a powerful tool to study the solution chemistry of tripodal ligands in the presence of copper(II)
• Authors of publication: Michel, Fabien; Hamman, Sylvain; Thomas, Fabrice; Philouze, Christian; Gautier-Luneau, Isabelle; Pierre, Jean-Louis
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 39
• Pages of publication: 4122 - 4124
• a: 10.459 ± 0.004 Å
• b: 11.722 ± 0.004 Å
• c: 13.077 ± 0.003 Å
• α: 112.29 ± 0.02°
• β: 94.97 ± 0.03°
• γ: 94.69 ± 0.03°
• Cell volume: 1466.4 ± 0.9 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: 0.0394
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections: 1.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No