Information card for entry 2218733

Structure parameters

• Chemical name: Diaqua{2,6-bis[N-(2-pyridylmethyl)carbamoyl]phenolato- κ^2^<i>O</i>^1^,<i>O</i>^2^}zinc(II)
• Formula: C40 H38 N8 O8 Zn
• Calculated formula: C40 H38 N8 O8 Zn
• SMILES: c12c(C(NCc3ncccc3)=[O][Zn]3([OH2])(O2)(Oc2c(cccc2C(=O)NCc2ncccc2)C(NCc2ncccc2)=[O]3)[OH2])cccc1C(=O)NCc1ncccc1
• Title of publication: Diaqua{2,6-bis[<i>N</i>-(2-pyridinylmethyl)carbamoyl]phenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^}zinc(II)
• Authors of publication: Suksai, Chomchai; Watchasit, Sarayut; Tuntulani, Thawatchai; Pakawatchai, Chaveng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m884 - m885
• a: 16.357 ± 0.004 Å
• b: 14.723 ± 0.004 Å
• c: 15.135 ± 0.004 Å
• α: 90°
• β: 91.938 ± 0.007°
• γ: 90°
• Cell volume: 3642.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes