Information card for entry 4304381

Structure parameters

• Common name: [Cu(THF)2(zole)2]
• Formula: C40 H56 Cu N2 O6 S2
• Calculated formula: C40 H56 Cu N2 O6 S2
• Title of publication: Counterions Influence Reactivity of Metal Ions with Cysteinyldopa Model Compounds
• Authors of publication: Yohannes T. Tesema; David M. Pham; Katherine J. Franz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1087 - 1095
• a: 17.3484 ± 0.0011 Å
• b: 8.5768 ± 0.0006 Å
• c: 26.7521 ± 0.0017 Å
• α: 90°
• β: 90.004 ± 0.001°
• γ: 90°
• Cell volume: 3980.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No