Information card for entry 2220917

Structure parameters

• Chemical name: [(2-Morpholinoethyl)(2-pyridylmethylene)amine]dithiocyanatozinc(II)
• Formula: C14 H17 N5 O S2 Zn
• Calculated formula: C14 H17 N5 O S2 Zn
• SMILES: [Zn]12([n]3c(cccc3)C=[N]1CC[N]12CCOCC1)(N=C=S)N=C=S
• Title of publication: [(2-Morpholinoethyl)(2-pyridylmethylene)amine]dithiocyanatozinc(II)
• Authors of publication: Cai, Bang-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m142
• a: 8.185 ± 0.002 Å
• b: 8.654 ± 0.002 Å
• c: 13.368 ± 0.004 Å
• α: 98.439 ± 0.003°
• β: 102.587 ± 0.003°
• γ: 102.501 ± 0.003°
• Cell volume: 883.3 ± 0.4 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: 0.0576
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes