Information card for entry 2214347

Structure parameters

• Chemical name: Diaquabis[(2-nitrophenylsulfinyl)acetato-<i>κO</i>]copper(II) tetrahydrate
• Formula: C16 H24 Cu N2 O16 S2
• Calculated formula: C16 H24 Cu N2 O16 S2
• SMILES: c1(ccccc1N(=O)=O)S(CC(=O)O[Cu](OC(=O)CS(c1ccccc1N(=O)=O)=O)([OH2])[OH2])=O.O.O.O.O
• Title of publication: Diaquabis[(2-nitrophenylsulfinyl)acetato-<i>{κ</i>O}]copper(II) tetrahydrate
• Authors of publication: Zhu, Xue-Feng; Zhao, Li-Ming; Hou, Guang-Feng; Gao, Jin-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1809 - m1809
• a: 15.577 ± 0.003 Å
• b: 5.3724 ± 0.0011 Å
• c: 14.74 ± 0.003 Å
• α: 90°
• β: 99.79 ± 0.03°
• γ: 90°
• Cell volume: 1215.6 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes