Information card for entry 1543623

Structure parameters

• Chemical name: Dichlorido[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>]-1,5-naphthyridine-κ<i>N</i>^1^]zinc
• Formula: C17 H11 Cl2 N3 Zn
• Calculated formula: C17 H11 Cl2 N3 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(ccc3nc4ccccc4cc23)c2[n]1cccc2
• Title of publication: Dichlorido[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]zinc
• Authors of publication: Ohtsu, Hideki; Oura, Takahiro; Takaoka, Mikio; Tsuge, Kiyoshi; Tanaka, Koji
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 7
• Pages of publication: x161093
• a: 7.9078 ± 0.00014 Å
• b: 8.27871 ± 0.00015 Å
• c: 13.4075 ± 0.0003 Å
• α: 73.8395 ± 0.0007°
• β: 79.2764 ± 0.0007°
• γ: 68.1246 ± 0.0007°
• Cell volume: 779.01 ± 0.03 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes