Information card for entry 2016584

Structure parameters

• Common name: [Zn(tpen)](ClO4)2 2/3H2O
• Chemical name: [N,N,N',N'-tetrakis(2-pyridylmethyl)ethane-1,2-diamine-κ^6^N]zinc(II) diperchlorate 0.67-hydrate
• Formula: C78 H88 Cl6 N18 O26 Zn3
• Calculated formula: C26 H29.3333 Cl2 N6 O8.66667 Zn
• Title of publication: Three overcrowded zinc(II) complexes with potentially hexadentate polypyridyl ligands
• Authors of publication: Hazell, Alan; Mønsted, Ole; Rasmussen, Jens Christian; Toftlund, Hans
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m185 - m189
• a: 41.064 ± 0.003 Å
• b: 9.359 ± 0.0007 Å
• c: 23.785 ± 0.002 Å
• α: 90°
• β: 107.625 ± 0.002°
• γ: 90°
• Cell volume: 8711.9 ± 1.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes