Information card for entry 2015634

Structure parameters

• Chemical name: (Acetonitrile-κN){2-[bis(2-pyridethyl)amino]ethanol-κ^4^N,N',N'',O}zinc(II) bis(perchlorate) monohydrate
• Formula: C18 H26 Cl2 N4 O10 Zn
• Calculated formula: C18 H26 Cl2 N4 O10 Zn
• SMILES: [Zn]123([OH]CC[N]2(CCc2[n]1cccc2)CCc1[n]3cccc1)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: (Acetonitrile-κ<i>N</i>){2-[bis(2-pyridylethyl)amino]ethanol-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}zinc(II) bis(perchlorate) monohydrate
• Authors of publication: Hong-Chang Liang; Marcel Hetu; Wheeler, Kraig A.; Lev N. Zhakorov; Arnold L. Rheingold
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m519 - m521
• a: 17.3792 ± 0.0013 Å
• b: 7.8924 ± 0.0006 Å
• c: 18.6583 ± 0.0014 Å
• α: 90°
• β: 109.487 ± 0.001°
• γ: 90°
• Cell volume: 2412.6 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No