Information card for entry 2212761

Structure parameters

• Chemical name: Di-μ-chloro-bis[(3,4-η)-(2,5-dimethylhex-3-yne-2,5-diol)copper(I)]
• Formula: C16 H28 Cl2 Cu2 O4
• Calculated formula: C16 H28 Cl2 Cu2 O4
• SMILES: [Cu]13([Cl][Cu]4([Cl]1)[C](#[C]4C(C)(C)O)C(C)(C)O)[C](#[C]3C(C)(C)O)C(C)(C)O
• Title of publication: Di-μ-chlorido-bis{[(3,4-η)-2,5-dimethylhex-3-yne-2,5-diol]copper(I)}
• Authors of publication: Imhof, Wolfgang; Schmidt, Andreas; Walther, Dirk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m968 - m970
• a: 8.981 ± 0.002 Å
• b: 11.056 ± 0.002 Å
• c: 11.676 ± 0.002 Å
• α: 92.11 ± 0.03°
• β: 112.13 ± 0.03°
• γ: 101.39 ± 0.03°
• Cell volume: 1044.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes