Information card for entry 2233432

Structure parameters

• Chemical name: Bis[(1<i>S</i>,1'<i>S</i>)-1,1'-(4-amino-4<i>H</i>-1,2,4-triazole-3,5- diyl)diethanol-κ<i>N</i>^1^]bis(nitrato-κ<i>O</i>)zinc
• Formula: C12 H24 N10 O10 Zn
• Calculated formula: C12 H24 N10 O10 Zn
• SMILES: [Zn]([n]1c([C@H](C)O)n(c([C@H](C)O)n1)N)([n]1c([C@H](C)O)n(c([C@H](C)O)n1)N)(ON(=O)=O)ON(=O)=O
• Title of publication: Bis[(1<i>S</i>,1'<i>S</i>)-1,1'-(4-amino-4<i>H</i>-1,2,4-triazole-3,5-diyl)diethanol-κ<i>N</i>^1^]bis(nitrato-κ<i>O</i>)zinc
• Authors of publication: Liu, Xun-Gao; Shen, Liang; Cai, Qi-Suo; Luo, Ma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m191 - m192
• a: 12.1252 ± 0.0007 Å
• b: 12.1252 ± 0.0007 Å
• c: 14.6108 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2148.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes