Information card for entry 2008554

Structure parameters

• Chemical name: Tetrakis(μ-trigonelline-O,O')-dichlorocopper(II) dichloride octahydrate
• Formula: C28 H44 Cl4 Cu2 N4 O16
• Calculated formula: C28 H44 Cl4 Cu2 N4 O16
• 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: 10.156 ± 0.002 Å
• b: 13.883 ± 0.002 Å
• c: 7.793 ± 0.001 Å
• α: 99.4 ± 0.01°
• β: 109.29 ± 0.01°
• γ: 75.57 ± 0.01°
• Cell volume: 1000.4 ± 0.3 ų
• Cell temperature: 299 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 1.48
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No