Information card for entry 2011788

Structure parameters

• Chemical name: trans-bis(ethanolamine)bis(saccharinato)copper(II)
• Formula: C18 H22 Cu N4 O8 S2
• Calculated formula: C18 H22 Cu N4 O8 S2
• SMILES: C1(=O)c2ccccc2S(=O)(=O)N1[Cu]12([NH2]CC[OH]1)(N1C(=O)c3ccccc3S1(=O)=O)[NH2]CC[OH]2
• Title of publication: <i>trans</i>-Bis(ethanolamine-<i>N</i>,<i>O</i>)bis(saccharinato-<i>N</i>)copper(II)
• Authors of publication: Yilmaz, Veysel T.; Andac, Omer; Topcu, Yildiray; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 271 - 272
• a: 11.0346 ± 0.0005 Å
• b: 8.8957 ± 0.0004 Å
• c: 11.4161 ± 0.0005 Å
• α: 90°
• β: 103.946 ± 0.001°
• γ: 90°
• Cell volume: 1087.58 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes