Information card for entry 2205621

Structure parameters

• Common name: Bis-(3-methyl-4-aminopyridine)-Zinc(II)isothiocyanate
• Chemical name: Bis(4-amino-3-methylpyridine)diisothiocyanatozinc(II)
• Formula: C14 H16 N6 S2 Zn
• Calculated formula: C14 H16 N6 S2 Zn
• SMILES: [Zn]([n]1ccc(N)c(c1)C)([n]1ccc(N)c(c1)C)(N=C=S)N=C=S
• Title of publication: Bis(4-amino-3-methylpyridine)diisothiocyanatozinc(II)
• Authors of publication: Suchada Chantrapromma; Hoong-Kun Fun; Xiao-Jun Feng; Jia-Xiang Yang; Jie-Ying Wu; Yu-Peng Tian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m733 - m735
• a: 8.5622 ± 0.0004 Å
• b: 14.0393 ± 0.0007 Å
• c: 14.7524 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1773.35 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes