Information card for entry 2237195

Structure parameters

• Chemical name: Tetrakis[μ-2-(methoxycarbonyl)benzoato- κ^2^<i>O</i>^1^:<i>O</i>^1'^]bis[(acetonitrile- κ<i>N</i>)copper(II)](<i>Cu</i>—<i>Cu</i>)
• Formula: C40 H34 Cu2 N2 O16
• Calculated formula: C40 H34 Cu2 N2 O16
• SMILES: C1(c2ccccc2C(=O)OC)=[O][Cu]234([N]#CC)[O]=C(O[Cu]4(O1)([N]#CC)([O]=C(c1ccccc1C(=O)OC)O2)[O]=C(O3)c1ccccc1C(=O)OC)c1ccccc1C(=O)OC
• Title of publication: Tetrakis[μ-2-(methoxycarbonyl)benzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^]bis[(acetonitrile-κ<i>N</i>)copper(II)](<i>Cu</i>—<i>Cu</i>)
• Authors of publication: Wang, Jing-lin; Wang, Cai-rong; Wang, Zhi-jun; Yang, Bin-sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: m19
• a: 8.2332 ± 0.001 Å
• b: 10.573 ± 0.0013 Å
• c: 12.6673 ± 0.0015 Å
• α: 104.774 ± 0.001°
• β: 108.061 ± 0.002°
• γ: 91.152 ± 0.001°
• Cell volume: 1007.8 ± 0.2 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: 0.0486
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes