Information card for entry 7050168

Structure parameters

• Formula: C26 H20 Cl2 N4 Zn
• Calculated formula: C26 H20 Cl2 N4 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2ccccc2c2[n]1c(c(n2Cc1ncccc1)c1ccccc1)c1ccccc1
• Title of publication: Zinc(ii) mediated synthesis of an N-substituted 2-(2-pyridyl)imidazole from a 1,2-diketone and 2-(aminomethyl)pyridine and its ligational behaviour
• Authors of publication: Drew, Michael G. B.; Tocher, Derek A.; Chowdhury, Kiranmoy; Chowdhury, Shubhamoy; Datta, Dipankar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 323
• a: 15.777 ± 0.003 Å
• b: 10.409 ± 0.002 Å
• c: 15.932 ± 0.003 Å
• α: 90°
• β: 114.05 ± 0.03°
• γ: 90°
• Cell volume: 2389.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections: 0.3237
• Weighted residual factors for significantly intense reflections: 0.1135
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No