Information card for entry 7034731

Structure parameters

• Formula: C28 H32 B2 Cl2 Cu2 F8 N6 S
• Calculated formula: C28 H32 B2 Cl2 Cu2 F8 N6 S
• Title of publication: Catalytic catechol oxidation by copper complexes: development of a structure-activity relationship.
• Authors of publication: Ording-Wenker, Erica C M; Siegler, Maxime A.; Lutz, Martin; Bouwman, Elisabeth
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12196 - 12209
• a: 10.0603 ± 0.0008 Å
• b: 23.2653 ± 0.0015 Å
• c: 14.5686 ± 0.0009 Å
• α: 90°
• β: 100.321 ± 0.007°
• γ: 90°
• Cell volume: 3354.7 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No