Information card for entry 2010752

Structure parameters

• Formula: C28 H52 Cu2 O10
• Calculated formula: C28 H52 Cu2 O10
• SMILES: [Cu]1234([Cu]([O]=C(O2)CC(C)(C)C)(OC(=[O]1)CC(C)(C)C)([O]=C(O4)CC(C)(C)C)(OC(=[O]3)CC(C)(C)C)[O]1CCOCC1)[O]1CC[O](CC1)[Cu]1234[Cu]([O]=C(O3)CC(C)(C)C)(OC(=[O]2)CC(C)(C)C)(OC(=[O]1)CC(C)(C)C)[O]=C(O4)CC(C)(C)C
• Title of publication: <i>catena</i>-Poly[[tetrakis(μ-2,2-dimethylpropionato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-dioxane-<i>O</i>:<i>O</i>'] and <i>catena</i>-poly[[tetrakis(μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-dioxane-<i>O</i>,<i>O</i>']
• Authors of publication: Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Tokii, Tadashi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: e80 - e81
• a: 10.08 ± 0.001 Å
• b: 11.308 ± 0.002 Å
• c: 8.952 ± 0.001 Å
• α: 113.3 ± 0.01°
• β: 108.92 ± 0.01°
• γ: 84.64 ± 0.01°
• Cell volume: 885.8 ± 0.2 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No