Information card for entry 2219558

Structure parameters

• Chemical name: Tetrakis(μ-2-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(4-vinylpyridine- κ<i>N</i>)copper(II)]
• Formula: C42 H30 Cl4 Cu2 N2 O8
• Calculated formula: C42 H30 Cl4 Cu2 N2 O8
• SMILES: C=Cc1cc[n](cc1)[Cu]1234[O]=C(O[Cu]2([n]2ccc(C=C)cc2)([O]=C(O3)c2ccccc2Cl)(OC(=[O]4)c2c(cccc2)Cl)[O]=C(O1)c1c(cccc1)Cl)c1ccccc1Cl
• Title of publication: Tetrakis(μ-2-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(4-vinylpyridine-κ<i>N</i>)copper(II)]
• Authors of publication: Zhao, Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1336
• a: 10.251 ± 0.002 Å
• b: 20.412 ± 0.004 Å
• c: 10.665 ± 0.002 Å
• α: 90°
• β: 111.99 ± 0.03°
• γ: 90°
• Cell volume: 2069.2 ± 0.8 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes