Information card for entry 2215592

Structure parameters

• Chemical name: Diaquabis(saccharinato-κ<i>N</i>)copper(II)
• Formula: C14 H12 Cu N2 O8 S2
• Calculated formula: C14 H12 Cu N2 O8 S2
• SMILES: [Cu]1([OH2])([OH2])([O]=S2(=O)N(C(=O)c3c2cccc3)[Cu]([OH2])([OH2])[O]=S2(=O)N1C(=O)c1c2cccc1)(OS1(=O)=NC(=O)c2c1cccc2)N1C(=O)c2c(cccc2)S1(=O)=O
• Title of publication: Diaquabis(saccharinato-κ<i>N</i>)copper(II)
• Authors of publication: Farook Adam; Ishraga Abdelmoniem Hassan; Mohd Mustaqim Rosli; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2600 - m2600
• a: 4.9171 ± 0.0001 Å
• b: 7.8826 ± 0.0002 Å
• c: 10.5731 ± 0.0003 Å
• α: 96.167 ± 0.001°
• β: 102.295 ± 0.001°
• γ: 99.211 ± 0.001°
• Cell volume: 390.968 ± 0.017 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes