Information card for entry 1564339

Structure parameters

• Formula: C69 H45 F20 N5 O3 Pd
• Calculated formula: C69 H45 F20 N5 O3 Pd
• Title of publication: Chromophore-Supported Structural and Functional Model of Dinuclear Copper Enzymes, for Facilitating Mechanism of Action Studies
• Authors of publication: Chen, Qiu-Cheng; Fridman, Natalia; Tumanskii, Boris L.; Gross, Zeev
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 7.8433 ± 0.0002 Å
• b: 18.5899 ± 0.0005 Å
• c: 21.063 ± 0.0005 Å
• α: 89.12 ± 0.002°
• β: 86.471 ± 0.002°
• γ: 86.785 ± 0.002°
• Cell volume: 3060.25 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0759
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No