Information card for entry 2008241

Structure parameters

• Formula: C62 H50 Cl8 Cu2 N2 O18
• Calculated formula: C62 H50 Cl8 Cu2 N2 O18
• SMILES: C1(C(Oc2ccc(cc2)Cl)Oc2ccc(cc2)Cl)=[O][Cu]234(OC(=[O][Cu]4(O1)([O]=C(C(Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl)O2)(OC(=[O]3)C(Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl)[O]=CN(C)C)C(Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl)[O]=CN(C)C
• Title of publication: A dimeric copper(II) bis(4-chlorophenoxy)acetate adduct with dimethylformamide
• Authors of publication: Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Noguchi, Masakazu; Tokii, Tadashi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 316 - 318
• a: 10.115 ± 0.003 Å
• b: 10.757 ± 0.004 Å
• c: 30.986 ± 0.004 Å
• α: 90°
• β: 96.24 ± 0.02°
• γ: 90°
• Cell volume: 3351.5 ± 1.7 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.795
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No