Information card for entry 2008555

Structure parameters

• Chemical name: Tetrakis(μ-1-methylpyrrole-2-carboxylato-O,O')-dipyridinecopper(II)
• Formula: C36 H38 Cu2 N6 O8
• Calculated formula: C36 H38 Cu2 N6 O8
• SMILES: [n]1(cccc(C)c1)[Cu]1234[O]=C(O[Cu]4([n]4cccc(C)c4)([O]=C(O1)c1n(ccc1)C)(OC(=[O]3)c1n(ccc1)C)[O]=C(O2)c1n(ccc1)C)c1n(ccc1)C
• Title of publication: A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine
• Authors of publication: Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 882 - 886
• a: 10.431 ± 0.002 Å
• b: 17.795 ± 0.003 Å
• c: 10.685 ± 0.002 Å
• α: 90°
• β: 114.4 ± 0.01°
• γ: 90°
• Cell volume: 1806.2 ± 0.6 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
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 1.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No