Information card for entry 7117599

Structure parameters

• Formula: C24 H18 Cu N6 O7
• Calculated formula: C24 H18 Cu N6 O7
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Cu]14([OH2])[n]2cccc3ccc4ccc[n]1c4c23.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Protein engineering with artificial chemical nucleases.
• Authors of publication: Larragy, Ruth; Fitzgerald, Jenny; Prisecaru, Andreea; McKee, Vickie; Leonard, Paul; Kellett, Andrew
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 65
• Pages of publication: 12908 - 12911
• a: 16.6086 ± 0.0015 Å
• b: 7.1589 ± 0.0006 Å
• c: 19.141 ± 0.003 Å
• α: 90°
• β: 102.179 ± 0.001°
• γ: 90°
• Cell volume: 2224.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No