Information card for entry 2012405

Structure parameters

• Chemical name: trans-Bis(diethanolamine-N,O)bis(saccharinato-N)cadmium(II)
• Formula: C22 H30 Cd N4 O10 S2
• Calculated formula: C22 H30 Cd N4 O10 S2
• SMILES: C(CO)[NH]1[Cd]2(N3C(=O)c4ccccc4S3(=O)=O)([NH](CC[OH]2)CCO)(N2C(=O)c3ccccc3S2(=O)=O)[OH]CC1
• Title of publication: <i>trans</i>-Bis(diethanolamine-<i>N</i>,<i>O</i>)bis(saccharinato-<i>N</i>)cadmium(II)
• Authors of publication: Andac, Omer; Topcu, Yildiray; Yilmaz, Veysel T.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: m14 - m16
• a: 7.8444 ± 0.0003 Å
• b: 8.4654 ± 0.0003 Å
• c: 20.4378 ± 0.0008 Å
• α: 90°
• β: 94.188 ± 0.001°
• γ: 90°
• Cell volume: 1353.57 ± 0.09 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: 0.033
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes