Information card for entry 4340538

Structure parameters

• Formula: C32 H44 Cl4 Cu2 N6 O2
• Calculated formula: C30 H36 Cl4 Cu2 N6
• Title of publication: Multicopper models for the laccase active site: effect of nuclearity on electrocatalytic oxygen reduction.
• Authors of publication: Tse, Edmund C. M.; Schilter, David; Gray, Danielle L.; Rauchfuss, Thomas B.; Gewirth, Andrew A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8505 - 8516
• a: 11.3605 ± 0.0019 Å
• b: 11.7947 ± 0.0019 Å
• c: 14.008 ± 0.002 Å
• α: 90°
• β: 105.165 ± 0.002°
• γ: 90°
• Cell volume: 1811.6 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No