Information card for entry 2007228

Structure parameters

• Common name: zinc(II)tepa bisperchlorate
• Formula: C21 H24 Cl2 N4 O8 Zn
• Calculated formula: C21 H24 Cl2 N4 O8 Zn
• SMILES: [Zn]123[n]4c(cccc4)CC[N]2(CCc2[n]3cccc2)CCc2[n]1cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A Tetrahedral Zinc(II) Complex of Tris(2-pyridylethyl)amine
• Authors of publication: Xiaodong Xu; Craig S. Allen; Chang-lin Chuang; James W. Canary
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 600 - 601
• a: 13.398 ± 0.003 Å
• b: 13.988 ± 0.003 Å
• c: 13.674 ± 0.003 Å
• α: 90°
• β: 104.24 ± 0.02°
• γ: 90°
• Cell volume: 2483.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0862
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.184
• Weighted residual factors for significantly intense reflections: 0.1505
• Goodness-of-fit parameter for all reflections: 1.142
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes