Information card for entry 4315117

Structure parameters

• Formula: C18 H24 Cl2 Cu2 N4 O12
• Calculated formula: C18 H24 Cl2 Cu2 N4 O12
• SMILES: Cl(=O)(=O)(=O)[O-].[Cu]123[n]4c(cccc4)C[NH]1CCC1C[NH]4[Cu]([n]5c(cccc5)C4)([O]21)([O]=C(C)O3)[OH2].Cl(=O)(=O)(=O)[O-]
• Title of publication: Evaluating Binuclear Copper(II) Complexes for Glycoside Hydrolysis
• Authors of publication: Susanne Striegler; Natasha A. Dunaway; Moses G. Gichinga; James D. Barnett; Anna-Gay D. Nelson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2639 - 2648
• a: 15.0763 ± 0.0017 Å
• b: 12.2502 ± 0.0014 Å
• c: 15.3221 ± 0.0018 Å
• α: 90°
• β: 116.02 ± 0.002°
• γ: 90°
• Cell volume: 2543 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No