Information card for entry 7039959

Structure parameters

• Chemical name: aqua-(2,6-bis(2-pyridylmethoxymethyl)pyridine-N,N',N'',O,O')zinc(ii) diperchlorate
• Formula: C19 H21 Cl2 N3 O11 Zn
• Calculated formula: C19 H21 Cl2 N3 O11 Zn
• SMILES: [Zn]1234([O](Cc5[n]2cccc5)Cc2[n]3c(ccc2)C[O]1Cc1[n]4cccc1)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Contrasting coordination behavior of Group 12 perchlorate salts with an acyclic N3O2 donor ligand by X-ray crystallography and (1)H NMR.
• Authors of publication: Tice, Daniel B.; Pike, Robert D.; Bebout, Deborah C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12871 - 12883
• a: 12.7292 ± 0.0002 Å
• b: 12.9161 ± 0.0002 Å
• c: 14.7031 ± 0.0003 Å
• α: 90°
• β: 108.651 ± 0.0007°
• γ: 90°
• Cell volume: 2290.4 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No