Information card for entry 2008813

Structure parameters

• Formula: C12 H16 N6 O7 S Zn
• Calculated formula: C12 H16 N6 O7 S Zn
• SMILES: [Zn]12([S]=C(N[N]2=C(c2[n]1cccc2)C)N1CCOCC1)(ON(=O)=O)ON(=O)=O
• 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: 9.5284 ± 0.0015 Å
• b: 10.829 ± 0.002 Å
• c: 8.863 ± 0.003 Å
• α: 91.94 ± 0.03°
• β: 94 ± 0.02°
• γ: 101.698 ± 0.013°
• Cell volume: 892.3 ± 0.4 ų
• Cell temperature: 293 ± 3 K
• Ambient diffraction temperature: 293 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: 0.119
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.093
• Goodness-of-fit parameter for all reflections: 0.959
• Goodness-of-fit parameter for significantly intense reflections: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No