Information card for entry 2222097

Structure parameters

• Chemical name: Tetrabenzoatotetrakis(μ~3~-hydroxydi-2-pyridylmethanolato)tetrazinc(II)‒ acetone‒methanol (1/2/1)
• Formula: C316 H288 N32 O76 Zn16
• Calculated formula: C316 H288 N32 O76 Zn16
• Title of publication: A neutral cubane with a Zn^II^~4~O~4~ core: tetrabenzoatotetrakis(μ~3~-hydroxydi-2-pyridylmethanolato)tetrazinc(II)‒acetone‒methanol (1/2/1)
• Authors of publication: Shin, Dong Hoon; Han, Sim-Hee; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m658 - m659
• a: 14.3201 ± 0.0004 Å
• b: 14.3201 ± 0.0004 Å
• c: 37.73 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7737.1 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes