Information card for entry 1564338

Structure parameters

• Common name: Gross222b (Chosen)
• Formula: C61 H37 F20 N5 Pd2
• Calculated formula: C61 H37 F20 N5 Pd2
• 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: 17.504 ± 0.003 Å
• b: 21.031 ± 0.003 Å
• c: 16.726 ± 0.003 Å
• α: 90°
• β: 99.406 ± 0.004°
• γ: 90°
• Cell volume: 6074.5 ± 1.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0923
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No