Information card for entry 2218686

Structure parameters

• Chemical name: Tetrakis(μ-4-ethylbenzoato-κ^2^O:O')bis[(4-ethylbenzoic acid-κO)copper(II)]
• Formula: C54 H56 Cu2 O12
• Calculated formula: C54 H56 Cu2 O12
• SMILES: O1C(c2ccc(cc2)CC)=[O][Cu]234([Cu]1([O]=C(c1ccc(cc1)CC)O4)(OC(=[O]3)c1ccc(cc1)CC)([O]=C(O)c1ccc(cc1)CC)[O]=C(O2)c1ccc(cc1)CC)[O]=C(O)c1ccc(cc1)CC
• Title of publication: Tetrakis(μ-4-ethylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(4-ethylbenzoic acid-κ<i>O</i>)copper(II)]
• Authors of publication: Sunil, Abraham C.; Bezuidenhoudt, Barend C. B.; Janse van Rensburg, J. Marthinus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m939
• a: 10.6167 ± 0.0005 Å
• b: 10.7394 ± 0.0007 Å
• c: 10.8096 ± 0.0007 Å
• α: 81.848 ± 0.003°
• β: 88.594 ± 0.003°
• γ: 79.468 ± 0.002°
• Cell volume: 1199.47 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes