Information card for entry 4321482

Structure parameters

• Formula: C24 H20 Br2 Cu N2 O5
• Calculated formula: C24 H20 Br2 Cu N2 O5
• SMILES: [n]1(ccccc1)[Cu](OC(=O)c1ccc(cc1)Br)([n]1ccccc1)(OC(=O)c1ccc(Br)cc1)[OH2]
• 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: 15.861 ± 0.0009 Å
• b: 5.869 ± 0.0002 Å
• c: 14.972 ± 0.0008 Å
• α: 90°
• β: 121.381 ± 0.0015°
• γ: 90°
• Cell volume: 1189.85 ± 0.1 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No