Information card for entry 8101961

Structure parameters

• Chemical name: catena-(aqua-tris(1H-imidazole-N)(μ-sulfato)copper(II))
• Formula: C9 H14 Cu N6 O5 S
• Calculated formula: C9 H14 Cu N6 O5 S
• SMILES: [Cu]([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)(OS(=O)(=O)[O-])[OH2]
• Title of publication: Crystal structure of catena-aquatris(1H-imidazole-N)-(μ-sulfato) copper(II), Cu(H~2~O)(C~3~H~4~N~2~)~3~(SO~4~)
• Authors of publication: Fu, F.; Guo, J.-X.; Li, D.-S.; Tang, L.; Zhang, M.-L.; Wang, J.-W.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 2
• Pages of publication: 195 - 196
• a: 11.723 ± 0.002 Å
• b: 8.6507 ± 0.0016 Å
• c: 13.839 ± 0.003 Å
• α: 90°
• β: 91.703 ± 0.004°
• γ: 90°
• Cell volume: 1402.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No