Information card for entry 2010549

Structure parameters

• Formula: C36 H58 Cu2 N2 O8
• Calculated formula: C36 H58 Cu2 N2 O8
• SMILES: [n]1(ccccc1C)[Cu]1234[O]=C(O[Cu]4([n]4ccccc4C)([O]=C(CC(C)(C)C)O2)(OC(CC(C)(C)C)=[O]1)[O]=C(O3)CC(C)(C)C)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: 10.04 ± 0.002 Å
• b: 18.468 ± 0.001 Å
• c: 11.649 ± 0.001 Å
• α: 90°
• β: 109.16 ± 0.01°
• γ: 90°
• Cell volume: 2040.3 ± 0.4 ų
• Cell temperature: 299 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No