Information card for entry 7111175

Structure parameters

• Formula: C75 H75 Cl8 Cu2 N15.5 O14
• Calculated formula: C75 H67 Cl8 Cu2 N15.5 O14
• Title of publication: Structural studies on dicopper(ii) compounds with catechol oxidase activity
• Authors of publication: Börzel, Heidi; Comba, Peter; Pritzkow, Hans
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 97
• a: 19.3832 ± 0.0005 Å
• b: 19.5174 ± 0.0005 Å
• c: 24.2065 ± 0.0007 Å
• α: 71.184 ± 0.002°
• β: 80.39 ± 0.002°
• γ: 76.041 ± 0.002°
• Cell volume: 8372.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No