Information card for entry 2204238

Structure parameters

• Formula: C23 H23 Cl2 N5 O5 Zn
• Calculated formula: C23 H23 Cl2 N5 O5 Zn
• SMILES: [Zn]1234(Cl)[N](Cc5[n]1cccc5)(Cc1[n]2cccc1)C(c1[n]3cccc1)c1[n]4cccc1.Cl(=O)(=O)(=O)[O-].O
• Title of publication: {<i>N</i>-[Bis(2-pyridyl)methyl]-<i>N,N</i>-bis(2-pyridyl)methylamine-κ^5^<i>N</i>}chlorozinc(II) perchlorate monohydrate
• Authors of publication: Kojima, Takahiko; Weber, David M.; Choma, Christin T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1291 - m1292
• a: 14.635 ± 0.007 Å
• b: 12.476 ± 0.005 Å
• c: 15.314 ± 0.007 Å
• α: 90°
• β: 115.726 ± 0.005°
• γ: 90°
• Cell volume: 2519 ± 2 ų
• Cell temperature: 113.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.512
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes