Information card for entry 2011210

Structure parameters

• Formula: C50 H84 Cu3 N2 O12
• Calculated formula: C50 H84 Cu3 N2 O12
• SMILES: [Cu]1234([O]=C(O[Cu]2([O]=C(O1)CC(C)(C)C)(OC(=[O]3)CC(C)(C)C)([O]=C(O4)CC(C)(C)C)[O]=C(O[Cu]([n]1c(cccc1C)C)[n]1c(cccc1C)C)CC(C)(C)C)CC(C)(C)C)[O]=C(O[Cu]([n]1c(cccc1C)C)(OC(=[O][Cu]1234[O]=C(O[Cu]2([O]=C(O1)CC(C)(C)C)(OC(=[O]3)CC(C)(C)C)([O]=C(O4)CC(C)(C)C)[O]=C([O-])CC(C)(C)C)CC(C)(C)C)CC(C)(C)C)[n]1c(cccc1C)C)CC(C)(C)C
• Title of publication: <i>catena</i>-Poly[[tetrakis(μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>'-[bis(2,6-dimethylpyridine-<i>N</i>)copper(II)]-μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>'] and tetrakis(μ-2,2-dimethylpropanoato-<i>O</i>:<i>O</i>')bis[(2,6-dimethylpyridine-<i>N</i>)copper(II)]
• Authors of publication: Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 923 - 925
• a: 12.525 ± 0.002 Å
• b: 12.736 ± 0.002 Å
• c: 10.033 ± 0.002 Å
• α: 94.64 ± 0.01°
• β: 102.51 ± 0.01°
• γ: 109.32 ± 0.01°
• Cell volume: 1454.1 ± 0.5 ų
• Cell temperature: 298 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: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No