Information card for entry 2223849

Structure parameters

• Chemical name: Dimethyl(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')zinc(II)
• Formula: C17 H17 N3 Zn
• Calculated formula: C17 H17 N3 Zn
• SMILES: C[Zn]12([n]3ccccc3c3[n]1c(c1cccc[n]21)ccc3)C
• Title of publication: Dimethyl(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')zinc(II)
• Authors of publication: Shalumova, Tamila; Tanski, Joseph M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1325
• a: 17.425 ± 0.0011 Å
• b: 9.1083 ± 0.0006 Å
• c: 11.7595 ± 0.0014 Å
• α: 90°
• β: 127.193 ± 0.001°
• γ: 90°
• Cell volume: 1486.8 ± 0.2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes