Information card for entry 2228854

Structure parameters

• Chemical name: Poly[[μ~2~-(1<i>Z</i>,N'<i>E</i>)-2-(1,3-benzothiazol-2-ylsulfanyl)- <i>N</i>'-(2-oxidobenzylidene-κ^2^<i>O</i>:<i>O</i>)acetohydrazidato- κ^2^<i>O</i>,<i>N</i>'](pyridine-κ<i>N</i>)copper(II)]
• Formula: C21 H16 Cu N4 O2 S2
• Calculated formula: C21 H16 Cu N4 O2 S2
• SMILES: c12c(C=[N]3[Cu](OC(=N3)CSc3nc4c(s3)cccc4)([n]3ccccc3)O1)cccc2
• Title of publication: Poly[[μ~2~-(1<i>Z</i>,<i>N</i>'<i>E</i>)-2-(1,3-benzothiazol-2-ylsulfanyl)-<i>N</i>'-(2-oxidobenzylidene-κ^2^<i>O</i>:<i>O</i>)acetohydrazidato-κ^2^<i>O</i>,<i>N</i>'](pyridine-κ<i>N</i>)copper(II)]
• Authors of publication: Bon, Vladimir V.; Orysyk, Svitlana I.; Pekhnyo, Vasily I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m11
• a: 21.6256 ± 0.0005 Å
• b: 25.3751 ± 0.0007 Å
• c: 7.123 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3908.76 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes