Information card for entry 2232195

Structure parameters

• Chemical name: Tetra-μ-2-methylbenzoato-κ^8^<i>O</i>:<i>O</i>'- bis[(ethanol-κ<i>O</i>)copper(II)]
• Formula: C36 H40 Cu2 O10
• Calculated formula: C36 H40 Cu2 O10
• SMILES: [Cu]1234([Cu]([O]=C(O1)c1ccccc1C)(OC(=[O]2)c1ccccc1C)([O]=C(O3)c1ccccc1C)(OC(=[O]4)c1ccccc1C)[OH]CC)[OH]CC
• Title of publication: Tetra-μ-2-methylbenzoato-κ^8^<i>O</i>:<i>O</i>'-bis[(ethanol-κ<i>O</i>)copper(II)]
• Authors of publication: Ni, Sheng-Liang; Yu, Jie-Lian; Wang, Yuan-Ling; Lin, Jian-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1565
• a: 10.989 ± 0.002 Å
• b: 12.369 ± 0.003 Å
• c: 14.143 ± 0.003 Å
• α: 66.58 ± 0.03°
• β: 87.79 ± 0.03°
• γ: 85.46 ± 0.03°
• Cell volume: 1758.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes