Information card for entry 2016166

Structure parameters

• Chemical name: Tetrakis(μ-benzoato-κ^2^O:O)bis{[4-(dimethylamino)pyridine-κN^1^]copper(II)}
• Formula: C42 H40 Cu2 N4 O8
• Calculated formula: C42 H40 Cu2 N4 O8
• SMILES: c1cc(cc[n]1[Cu]1234[O]=C(c5ccccc5)O[Cu]4([n]4ccc(cc4)N(C)C)([O]=C(c4ccccc4)O3)(OC(=[O]2)c2ccccc2)[O]=C(c2ccccc2)O1)N(C)C
• Title of publication: Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>)bis{[4-(dimethylamino)pyridine-κ<i>N</i>^1^]copper(II)}
• Authors of publication: Bora, Sanchay Jyoti; Sarmah, Purabi; Phukan, Prodeep; Das, Birinchi K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m392 - m394
• a: 10.4339 ± 0.0003 Å
• b: 11.1284 ± 0.0003 Å
• c: 17.1616 ± 0.0005 Å
• α: 90°
• β: 96.014 ± 0.0001°
• γ: 90°
• Cell volume: 1981.71 ± 0.1 ų
• Cell temperature: 293 ± 2 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: 0.0335
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes