Information card for entry 2215046

Structure parameters

• Chemical name: Dichlorido[1-(1-naphthylmethyl)-3-(2-pyridyl)-1H-pyrazole- κ^2^N^2^,N^3^]zinc(II)
• Formula: C19 H15 Cl2 N3 Zn
• Calculated formula: C19 H15 Cl2 N3 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2n(Cc3cccc4ccccc34)ccc2c2[n]1cccc2
• Title of publication: Dichlorido[1-(1-naphthylmethyl)-3-(2-pyridyl)-1<i>H</i>-pyrazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]zinc(II)
• Authors of publication: Chun-Sen Liu; Li-Fen Yan; Jun-Jie Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2265 - m2265
• a: 12.069 ± 0.002 Å
• b: 10.9474 ± 0.0018 Å
• c: 13.609 ± 0.002 Å
• α: 90°
• β: 92.662 ± 0.003°
• γ: 90°
• Cell volume: 1796.1 ± 0.5 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: 0.0674
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes