Information card for entry 8102611

Structure parameters

• Chemical name: [[5-sulfosalicylato-dicopper(II)-μ~2~-hydroxyl] 2.5hydrate, [Cu~2~(C~7~H~3~O~6~S)(OH)]^.^2.5H~2~O
• Formula: C14 H11 Cu4 O19 S2
• Calculated formula: C14 H6 Cu4 O19 S2
• Title of publication: Crystal structure of diaqua(5-sulfosalicylato)-(m2-hydroxyl)dicopper(II) hemihydrate, Cu2(H2O)2(C7H3O6S)(OH) · 0.5H2O
• Authors of publication: Shi Zhou; Chuan-Bi Li; Qing-Wei Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 309
• a: 7.403 ± 0.007 Å
• b: 8.726 ± 0.007 Å
• c: 9.586 ± 0.001 Å
• α: 107.58 ± 0.03°
• β: 96.66 ± 0.04°
• γ: 102.51 ± 0.01°
• Cell volume: 565.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0912
• 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