Information card for entry 2209274

Structure parameters

• Chemical name: Tetra-μ-benzoato-κ^8^O:O'-bis[(2-benzamidopyridine-κN^1^)copper(II)]
• Formula: C52 H40 Cu2 N4 O10
• Calculated formula: C52 H40 Cu2 N4 O10
• SMILES: C1(c2ccccc2)=[O][Cu]234([n]5ccccc5NC(=O)c5ccccc5)[O]=C(c5ccccc5)O[Cu]4(O1)([n]1ccccc1NC(=O)c1ccccc1)([O]=C(c1ccccc1)O2)[O]=C(c1ccccc1)O3
• Title of publication: Tetra-μ-benzoato-κ^8^<i>O</i>:<i>O</i>'-bis[(2-benzamidopyridine-κ<i>N</i>^1^)copper(II)]
• Authors of publication: Li-Jun Xiao; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1268 - m1269
• a: 10.209 ± 0.002 Å
• b: 10.73 ± 0.002 Å
• c: 11.075 ± 0.002 Å
• α: 101.661 ± 0.003°
• β: 94.736 ± 0.003°
• γ: 92.709 ± 0.004°
• Cell volume: 1181.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1015
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No