Information card for entry 2216148

Structure parameters

• Formula: C13 H14 Cl5 N3 Zn
• Calculated formula: C13 H14 Cl5 N3 Zn
• SMILES: [Zn]12(Cl)(Cl)[n]3ccccc3C[NH]1Cc1cccc[n]21.C(Cl)(Cl)Cl
• Title of publication: [Bis(2-pyridylmethyl)amine]dichloridozinc(II) chloroform solvate
• Authors of publication: Kim, Young-Inn; Lee, You-Soon; Seo, Hoe-Joo; Lee, Jin-Young; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2810 - m2811
• a: 6.965 ± 0.0006 Å
• b: 12.8654 ± 0.0012 Å
• c: 20.9341 ± 0.0018 Å
• α: 90°
• β: 90.335 ± 0.005°
• γ: 90°
• Cell volume: 1875.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes