Information card for entry 2218649

Structure parameters

• Chemical name: tetraaquatetrakis{μ~3~-6,6'-dioxido-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}octazinc(II) dimethyl sulfoxide tetrasolvate dihydrate
• Formula: C88 H84 N8 O26 S4 Zn8
• Calculated formula: C88 H84 N8 O26 S4 Zn8
• SMILES: c12c3cccc2C=[N]2[Zn]45([O]1[Zn]167[O]3[Zn]389[O](c%10c%11c(ccc%10)C=[N]%10c%12ccccc%12[N]%12=Cc%13cccc(O7)c%13[O]6[Zn]%10%12([O]3%11)[OH2])[Zn]367[O](c%10c%11c(ccc%10)C=[N]%10c%12ccccc%12[N]%12=Cc%13cccc(O9)c%13[O]8[Zn]%10%12([O]3%11)[OH2])[Zn]38([O]4c4c(C=[N]5c5c2cccc5)cccc4O3)[O]1c1c2c(ccc1)C=[N]1c3ccccc3[N]3=Cc4cccc(O7)c4[O]6[Zn]13([O]82)[OH2])[OH2].S(C)(C)=O.O.O=S(C)C.O=S(C)C.O=S(C)C.O
• Title of publication: An octanuclear zinc(II) complex with 6,6'-dihydroxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenol
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun; Adnan, Rohana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m912 - m913
• a: 18.1324 ± 0.0003 Å
• b: 18.1324 ± 0.0003 Å
• c: 13.3813 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4399.56 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes