Information card for entry 8102276

Structure parameters

• Chemical name: aqua(betaine)dichlorido copper(II)
• Formula: C5 H13 Cl2 Cu N O3
• Calculated formula: C5 H13 Cl2 Cu N O3
• Title of publication: Crystal structure of monoaqua(betaine)dichloridocopper(II), C5H11NO2 · CuCl2 · H2O
• 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: 485
• a: 6.3213 ± 0.0001 Å
• b: 9.8207 ± 0.0001 Å
• c: 17.1655 ± 0.0002 Å
• α: 90°
• β: 99.5952 ± 0.0015°
• γ: 90°
• Cell volume: 1050.72 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No