Information card for entry 4321481

Structure parameters

• Formula: C34 H34 Cu2 N2 O10
• Calculated formula: C34 H34 Cu2 N2 O10
• SMILES: N(C=[O][Cu]1234[O]=C(c5ccccc5)O[Cu]1([O]=C(c1ccccc1)O3)(OC(c1ccccc1)=[O]2)([O]=C(c1ccccc1)O4)[O]=CN(C)C)(C)C
• Title of publication: Copper(II) Benzoate Nitroxide Dimers and Chains: Structure and Magnetic Studies
• Authors of publication: Rico E. Del Sesto; Atta M. Arif; Joel S. Miller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4894 - 4902
• a: 10.5055 ± 0.0002 Å
• b: 10.065 ± 0.0004 Å
• c: 16.246 ± 0.0005 Å
• α: 90°
• β: 93.764 ± 0.002°
• γ: 90°
• Cell volume: 1714.11 ± 0.09 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0271
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No