Information card for entry 4335520

Structure parameters

• Formula: C12 H22 Cu2 N2 O10
• Calculated formula: C12 H22 Cu2 N2 O10
• SMILES: O1C(C)=[O][Cu]234([O]=C(C)O[Cu]14([O]=C(C)O2)([O]=C(C)O3)[O]=C(C)N)[O]=C(C)N
• Title of publication: Unusual Conformation of a Dinuclear Paddle Wheel Copper(II) Complex. Synthesis, Structural Characterization and EPR Studies
• Authors of publication: Verónica Paredes-García; Ricardo C. Santana; Rosa Madrid; Andrés Vega; Evgenia Spodine; Diego Venegas-Yazigi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8369 - 8377
• a: 15.4663 ± 0.0019 Å
• b: 9.6665 ± 0.0012 Å
• c: 14.6754 ± 0.0018 Å
• α: 90°
• β: 119.874 ± 0.002°
• γ: 90°
• Cell volume: 1902.5 ± 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: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No