Information card for entry 2203884

Structure parameters

• Chemical name: Tetrakis(μ-α-naphthylacetato-κ^2^O:O')bis[(dimethyl sulfoxide-κO)copper(II)]‒α-naphthylacetic acid‒dimethyl sulfoxide (1/2/2)
• Formula: C80 H80 Cu2 O16 S4
• Calculated formula: C80 H80 Cu2 O16 S4
• SMILES: O1C(Cc2cccc3ccccc23)=[O][Cu]234([Cu]1([O]=C(O4)Cc1cccc4ccccc14)([O]=S(C)C)(OC(=[O]2)Cc1cccc2ccccc12)[O]=C(O3)Cc1cccc2ccccc12)[O]=S(C)C.OC(=O)Cc1cccc2ccccc12.O=S(C)C.OC(=O)Cc1cccc2ccccc12.O=S(C)C
• Title of publication: Tetrakis(μ-α-naphthylacetato-κ^2^<i>O</i>:<i>O</i>')bis[(dimethyl sulfoxide-κ<i>O</i>)copper(II)]‒α-naphthylacetic acid‒dimethyl sulfoxide (1/2/2)
• Authors of publication: Lan-Fen Chen; Jie Zhang; Li-Jun Song; Wen-Guo Wang; Zhan-Feng Ju
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m1032 - m1034
• a: 12.367 ± 0.004 Å
• b: 13.192 ± 0.004 Å
• c: 22.682 ± 0.007 Å
• α: 90°
• β: 100.905 ± 0.003°
• γ: 90°
• Cell volume: 3634 ± 2 ų
• Cell temperature: 130.15 K
• Ambient diffraction temperature: 130.15 K
• Number of distinct elements: 5
• 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: 0.0863
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes