Information card for entry 2008812

Structure parameters

• Formula: C14 H18 N4 O3 S Zn
• Calculated formula: C14 H18 N4 O3 S Zn
• SMILES: [Zn]12(SC(=N[N]2=C(c2[n]1cccc2)C)N1CCOCC1)(OC(=O)C)[O]=C(C)O[Zn]12SC(=N[N]2=C(c2[n]1cccc2)C)N1CCOCC1
• Title of publication: Two novel zinc(II) complexes of <i>N</i>'-[1-(2-pyridyl)ethylidene]morpholine-4-carbothiohydrazide
• Authors of publication: Noriko Chikaraishi Kasuga; Yayoi Hara; Chisa Koumo; Kiyoshi Sekino; Kenji Nomiya
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1264 - 1267
• a: 13.093 ± 0.002 Å
• b: 8.836 ± 0.001 Å
• c: 14.724 ± 0.001 Å
• α: 90°
• β: 92.913 ± 0.008°
• γ: 90°
• Cell volume: 1701.2 ± 0.3 ų
• Cell temperature: 296 ± 5 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.095
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No