Information card for entry 4315116

Structure parameters

• Formula: C25 H30 Cu2 N2 O9
• Calculated formula: C25 H30 Cu2 N2 O9
• SMILES: [Cu]123Oc4c(ccc(OCCOC)c4)C=[N]1CC1[O]3[Cu]3([N](C1)=Cc1c(O3)cc(OCCOC)cc1)[O]=C(O2)C
• 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: 6.381 ± 0.002 Å
• b: 10.723 ± 0.004 Å
• c: 19.732 ± 0.007 Å
• α: 94.606 ± 0.007°
• β: 91.898 ± 0.007°
• γ: 107.159 ± 0.007°
• Cell volume: 1283.6 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No