Information card for entry 2010012

Structure parameters

• Common name: ZNTPPZ Macrocyle
• Chemical name: bis[(Zn~2~(μ-TPPZ)H~2~OCl(μ-ZnCl~4~)(μ-ZnCl~2~)(μ-ZnCl~3~H~2~O)]
• Formula: C24 H20 Cl10 N6 O2 Zn5
• Calculated formula: C24 H20 Cl10 N6 O2 Zn5
• Title of publication: A novel inorganic/organic macrocycle involving a binuclear Zn^II^ complex of tetra(2'-pyridyl)pyrazine (TPPZ): bis[Zn~2~(μ-TPPZ)H~2~OCl(μ-ZnCl~4~)(μ-ZnCl~2~)(μ-ZnCl~3~H~2~O)]
• Authors of publication: Graf, Marion; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 1461 - 1464
• a: 12.826 ± 0.001 Å
• b: 17.739 ± 0.001 Å
• c: 16.422 ± 0.002 Å
• α: 90°
• β: 95.11 ± 0.01°
• γ: 90°
• Cell volume: 3721.5 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.037
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No