Information card for entry 8102277

Structure parameters

• Chemical name: diaquabis(μu-betaine-O,O')tris(copper(II)dichloride)
• Formula: C10 H26 Cl6 Cu3 N2 O6
• Calculated formula: C10 H26 Cl6 Cu3 N2 O6
• Title of publication: Crystal structure of diaquabis(m-betaine-O,O')tris-(copper(II) dichloride), (C5H11NO2)2 · 3CuCl2 · 2H2O
• Authors of publication: Leonore Wiehl; Jürgen Schreuer; Eiken Haussühl; Peggy Hofmann
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 487
• a: 11.1814 ± 0.0001 Å
• b: 11.4383 ± 0.0001 Å
• c: 18.8671 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2413.03 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No