Information card for entry 2204288

Structure parameters

• Chemical name: Dichloro(4'-phenyl-2,2':6',2"-terpyridine-κ^3^N)zinc(II) hydrate
• Formula: C21 H17 Cl2 N3 O Zn
• Calculated formula: C21 H17 Cl2 N3 O Zn
• SMILES: [Zn]12(Cl)(Cl)[n]3ccccc3c3[n]1c(cc(c3)c1ccccc1)c1[n]2cccc1.O
• Title of publication: Dichloro(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>)zinc(II) monohydrate
• Authors of publication: Tu, Qi-Dong; Li, Dan; Wu, Tao; Yin, Ye-Gao; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1403 - m1404
• a: 7.8813 ± 0.0006 Å
• b: 16.355 ± 0.001 Å
• c: 17.228 ± 0.001 Å
• α: 117.131 ± 0.001°
• β: 95.273 ± 0.001°
• γ: 93.091 ± 0.001°
• Cell volume: 1956.4 ± 0.2 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: 0.108
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No