Information card for entry 2234348

Structure parameters

• Formula: C42 H38 Cu2 N2 O8
• Calculated formula: C42 H38 Cu2 N2 O8
• SMILES: C1(c2ccccc2)=[O][Cu]234([O]=C(c5ccccc5)O[Cu]2([n]2cc(cc(c2)C)C)(O1)([O]=C(c1ccccc1)O3)[O]=C(c1ccccc1)O4)[n]1cc(cc(c1)C)C
• Title of publication: Tetra-μ-benzoato-bis[(3,5-dimethylpyridine)copper(II)]
• Authors of publication: Guo, Qian; Wang, Ping; Liu, Fu-Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m437
• a: 10.249 ± 0.002 Å
• b: 10.619 ± 0.002 Å
• c: 10.752 ± 0.002 Å
• α: 64.14 ± 0.03°
• β: 67.34 ± 0.03°
• γ: 80.36 ± 0.03°
• Cell volume: 971.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1075
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes