Information card for entry 2204448

Structure parameters

• Chemical name: [4'-(4-Pyridyl)-2,2':6',2''-terpyridine-κ^3^N,N',N'']dithiocyanatozinc(II)
• Formula: C22 H14 N6 S2 Zn
• Calculated formula: C22 H14 N6 S2 Zn
• SMILES: [Zn]12([n]3ccccc3c3[n]1c(cc(c3)c1ccncc1)c1[n]2cccc1)(N=C=S)N=C=S
• Title of publication: [4'-(4-Pyridyl)-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']dithiocyanatozinc(II)
• Authors of publication: Lei, Hou; Li, Dan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1734 - m1735
• a: 9.5358 ± 0.0007 Å
• b: 10.711 ± 0.0008 Å
• c: 12.2233 ± 0.0009 Å
• α: 65.862 ± 0.001°
• β: 68.36 ± 0.001°
• γ: 80.33 ± 0.001°
• Cell volume: 1058.79 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes