Information card for entry 2220923

Structure parameters

• Chemical name: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(4-hydroxy-2-oxidobenzaldehyde thiosemicarbazonato-κ^3^<i>O</i>^2^,<i>N</i>^1^,<i>S</i>)zinc(II)
• Formula: C18 H15 N5 O2 S Zn
• Calculated formula: C18 H15 N5 O2 S Zn
• SMILES: [Zn]123(SC(=N[N]2=Cc2c(O1)cc(O)cc2)N)[n]1ccccc1c1[n]3cccc1
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(4-hydroxy-2-oxidobenzaldehyde thiosemicarbazonato-κ^3^<i>O</i>^2^,<i>N</i>^1^,<i>S</i>)zinc(II)
• Authors of publication: Tan, Kong Wai; Ng, Chew Hee; Maah, Mohd Jamil; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m143
• a: 16.1256 ± 0.0004 Å
• b: 7.0478 ± 0.0002 Å
• c: 17.6387 ± 0.0005 Å
• α: 90°
• β: 113.646 ± 0.002°
• γ: 90°
• Cell volume: 1836.33 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes