Information card for entry 2214978

Structure parameters

• Chemical name: Dichlorido{2-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine}zinc(II)
• Formula: C14 H12 Cl2 N4 Zn
• Calculated formula: C14 H12 Cl2 N4 Zn
• SMILES: [Zn]12([n]3c(c4cccc[n]14)ccn3Cc1cccc[n]21)(Cl)Cl
• Title of publication: Dichlorido{2-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine}zinc(II)
• Authors of publication: Chun-Sen Liu; Jiang-Ning Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2290 - m2290
• a: 7.2813 ± 0.001 Å
• b: 15.248 ± 0.002 Å
• c: 13.5034 ± 0.0019 Å
• α: 90°
• β: 90.967 ± 0.002°
• γ: 90°
• Cell volume: 1499 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes