Information card for entry 2200701

Structure parameters

• Chemical name: Bis(triethanolamine-N,O,O')zinc(II) saccharinate
• Formula: C26 H38 N4 O12 S2 Zn
• Calculated formula: C26 H38 N4 O12 S2 Zn
• SMILES: [N]12([Zn]34([OH]CC1)([OH]CC2)[N](CC[OH]3)(CCO)CC[OH]4)CCO.c1cccc2c1S(=O)([O-])=NC2=O.N1=S([O-])(=O)c2ccccc2C1=O
• Title of publication: Bis(triethanolamine-<i>N</i>,<i>O</i>,<i>O</i>')zinc(II) disaccharinate
• Authors of publication: Topcu, Yildiray; Yilmaz, Veysel T.; Thöne, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: m600 - m602
• a: 7.9428 ± 0.0012 Å
• b: 8.6647 ± 0.0014 Å
• c: 12.1383 ± 0.0018 Å
• α: 75.19 ± 0.006°
• β: 87.432 ± 0.006°
• γ: 65.639 ± 0.006°
• Cell volume: 734 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.0458
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No