Information card for entry 2010552

Structure parameters

• Formula: C36 H68 Cu2 O12
• Calculated formula: C36 H68 Cu2 O12
• SMILES: C1(CC(C)(C)C)=[O][Cu]234([O]=C(O)CC(C)(C)C)OC(CC(C)(C)C)=[O][Cu]4(O1)(OC(=[O]3)CC(C)(C)C)([O]=C(O2)CC(C)(C)C)[O]=C(O)CC(C)(C)C
• Title of publication: Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol, 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and 3,3-dimethylbutyric acid
• Authors of publication: Goto, Masato; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 7 - 11
• a: 10.89 ± 0.002 Å
• b: 18.211 ± 0.002 Å
• c: 11.787 ± 0.001 Å
• α: 90°
• β: 103.98 ± 0.01°
• γ: 90°
• Cell volume: 2268.2 ± 0.5 ų
• Cell temperature: 297 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No