Information card for entry 2007025

Structure parameters

• Chemical name: dimethanolatotetrakis(μ-4-chlorophenoxyisobutyrato-O:O')dicopper(II) dimethanol solvate
• Formula: C44 H56 Cl4 Cu2 O16
• Calculated formula: C44 H56 Cl4 Cu2 O16
• SMILES: O1C(C(Oc2ccc(cc2)Cl)(C)C)=[O][Cu]234([Cu]1([OH]C)([O]=C(O2)C(Oc1ccc(cc1)Cl)(C)C)(OC(=[O]4)C(Oc1ccc(cc1)Cl)(C)C)[O]=C(O3)C(Oc1ccc(cc1)Cl)(C)C)[OH]C.CO.CO
• Title of publication: A Dimeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Methanol and a Monomeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Pyridine
• Authors of publication: Kani, Yoshiyuki; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 193 - 195
• a: 9.672 ± 0.001 Å
• b: 15.698 ± 0.002 Å
• c: 9.04 ± 0.002 Å
• α: 104.48 ± 0.01°
• β: 105.07 ± 0.01°
• γ: 88.53 ± 0.01°
• Cell volume: 1282.1 ± 0.4 ų
• Cell temperature: 297 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No