Information card for entry 2015196

Structure parameters

• Chemical name: Di-μ-acetato-bis{[2,4-dichloro-6-(2- pyridylmethyliminomethyl)phenolato]zinc(II)}
• Formula: C30 H24 Cl4 N4 O6 Zn2
• Calculated formula: C30 H24 Cl4 N4 O6 Zn2
• SMILES: C1c2[n]([Zn]34([N]1=Cc1c(c(cc(c1)Cl)Cl)O3)[O]=C(O[Zn]13([N](=Cc5c(c(cc(c5)Cl)Cl)O3)Cc3[n]1cccc3)[O]=C(O4)C)C)cccc2
• Title of publication: Di-μ-acetato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]zinc(II)} and di-μ-thiocyanato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]copper(II)}
• Authors of publication: You, Zhong-Lu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m466 - m468
• a: 7.54 ± 0.001 Å
• b: 9.388 ± 0.001 Å
• c: 12.228 ± 0.001 Å
• α: 76.208 ± 0.001°
• β: 85.222 ± 0.001°
• γ: 77.32 ± 0.001°
• Cell volume: 819.67 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes