Information card for entry 2233612

Structure parameters

• Chemical name: Bis[μ-4-(2-oxidobenzylidene)thiosemicarbazidato- κ^4^<i>S</i>,<i>N</i>^1^,<i>O</i>:<i>O</i>]bis[(pyridine-κ<i>N</i>)zinc]
• Formula: C26 H24 N8 O2 S2 Zn2
• Calculated formula: C26 H24 N8 O2 S2 Zn2
• SMILES: [Zn]123([O]([Zn]45([O]3c3ccccc3C=[N]4N=C(S5)N)[n]3ccccc3)c3ccccc3C=[N]1N=C(S2)N)[n]1ccccc1
• Title of publication: Bis[μ-4-(2-oxidobenzylidene)thiosemicarbazidato-κ^4^<i>S</i>,<i>N</i>^1^,<i>O</i>:<i>O</i>]bis[(pyridine-κ<i>N</i>)zinc]
• Authors of publication: Takjoo, Reza; Dutkiewicz, Grzegorz; Ahmadi, Mehdi; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m106 - m107
• a: 10.2641 ± 0.0003 Å
• b: 17.316 ± 0.0006 Å
• c: 16.6473 ± 0.0005 Å
• α: 90°
• β: 104.706 ± 0.003°
• γ: 90°
• Cell volume: 2861.85 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0361
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes