Information card for entry 1544542

Structure parameters

• Chemical name: [2-(2,2'-Bipyridin-6-yl-κ^2^<i>N</i>^1^,<i>N</i>^1'^)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]dichloridozinc
• Formula: C22 H14 Cl2 N4 Zn
• Calculated formula: C22 H14 Cl2 N4 Zn
• SMILES: [Zn]12(Cl)(Cl)[n]3ccccc3c3[n]1c(ccc3)c1[n]2c2cc3ccccc3nc2cc1
• Title of publication: [2-(2,2'-Bipyridin-6-yl-κ^2^<i>N</i>^1^,<i>N</i>^1'^)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]dichloridozinc
• Authors of publication: Tezuka, Yosuke; Tsuge, Kiyoshi; Ohtsu, Hideki
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 11
• Pages of publication: x161779
• a: 10.804 ± 0.0002 Å
• b: 13.6433 ± 0.0003 Å
• c: 13.2159 ± 0.0003 Å
• α: 90°
• β: 97.8812 ± 0.0007°
• γ: 90°
• Cell volume: 1929.65 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0415
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes