Information card for entry 2008553

Structure parameters

• Chemical name: Bis(trigonelline)-dichlorocopper(II)
• Formula: C14 H14 Cl2 Cu N2 O4
• Calculated formula: C14 H14 Cl2 Cu N2 O4
• SMILES: C(=O)(c1c[n+](ccc1)C)O[Cu](Cl)(OC(=O)c1c[n+](ccc1)C)Cl
• 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: 8.401 ± 0.001 Å
• b: 10.704 ± 0.001 Å
• c: 9.325 ± 0.001 Å
• α: 90°
• β: 104.96 ± 0.01°
• γ: 90°
• Cell volume: 810.12 ± 0.15 ų
• Cell temperature: 295 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No