Information card for entry 2224434

Structure parameters

• Chemical name: Tetraaquatetrakis{μ~3~-3,3'-[(<i>E</i>,<i>E</i>)-ethane-1,2- diylbis(nitrilomethylidyne)]benzene-1,2-diolato}octazinc(II) <i>N</i>,<i>N</i>-dimethylformamide hexasolvate
• Formula: C82 H98 N14 O26 Zn8
• Calculated formula: C82 H98 N14 O26 Zn8
• SMILES: [Zn]1234[O]5[Zn]67([O]8[Zn]9%10%11[O]%12[Zn]%13%14([OH2])[O]%15[Zn]%16%17([O]%18[Zn]%19%20([OH2])[O]%21[Zn]%22(Oc%23cccc%24c%23[O]%22[Zn]%22%23([OH2])[O]2c2c(C=[N]%23CC[N]%22=C%24)cccc2[O]3%10)([O]%17c2cccc(C=[N]%14CC[N]%13=Cc3cccc(c%123)O9)c%152)[O]4c2cccc(C=[N]%20CC[N]%19=Cc3cccc(c%183)O%16)c%212)[O]%11c2cccc(C=[N]7CC[N]6=Cc3cccc(c53)O1)c82)[OH2].C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.CN(C)C=O
• Title of publication: Tetraaquatetrakis{μ~3~-3,3'-[(<i>E</i>,<i>E</i>)-ethane-1,2-diylbis(nitrilomethylidyne)]benzene-1,2-diolato}octazinc(II) <i>N</i>,<i>N</i>-dimethylformamide hexasolvate
• Authors of publication: Xu, Qin-Juan; Lin, Li-Rong; Sun, Di; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1559 - m1560
• a: 13.5451 ± 0.0004 Å
• b: 14.2114 ± 0.0004 Å
• c: 25.062 ± 0.0006 Å
• α: 80.599 ± 0.002°
• β: 76.519 ± 0.002°
• γ: 72.734 ± 0.002°
• Cell volume: 4456.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes