Information card for entry 2208702

Structure parameters

• Chemical name: triaquachlorotriperchloratobis[μ~2~-3- (2-pyridylmethylamino)butyrato]tricopper(II) dihydrate
• Formula: C20 H36 Cl4 Cu3 N4 O21
• Calculated formula: C20 H36 Cl4 Cu3 N4 O21
• Title of publication: A trinuclear copper(II) complex: triaquachlorotriperchloratobis[μ~2~-3-(2-pyridylmethylamino)butyrato]tricopper(II) dihydrate
• Authors of publication: Choi, Ki-Young; Lee, Kyu-Chul; Lee, Han-Hyoung; Ko, Jaejung; Han, Won-Sik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m690 - m692
• a: 9.2569 ± 0.0007 Å
• b: 12.6338 ± 0.0009 Å
• c: 15.3446 ± 0.0011 Å
• α: 82.383 ± 0.001°
• β: 82.779 ± 0.001°
• γ: 82.824 ± 0.001°
• Cell volume: 1753.9 ± 0.2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 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 all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No