Information card for entry 2226419

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[(2-phenylacetato-κ<i>O</i>)zinc(II)]bis[μ-4,4'- (disulfanediyl)dipyridine-κ^2^<i>N</i>:<i>N</i>']] monohydrate]
• Formula: C36 H32 N4 O5 S4 Zn
• Calculated formula: C36 H32 N4 O5 S4 Zn
• SMILES: [Zn]1([n]2ccc(cc2)SSc2cc[n](cc2)[Zn]([n]2ccc(cc2)SSc2ccncc2)([n]2ccc(cc2)SSc2cc[n]1cc2)([n]1ccc(cc1)SSc1ccncc1)(OC(=O)Cc1ccccc1)OC(=O)Cc1ccccc1)(OC(=O)Cc1ccccc1)OC(=O)Cc1ccccc1.O.O
• Title of publication: <i>catena</i>-Poly[[[(2-phenylacetato-κ<i>O</i>)zinc(II)]bis[μ-4,4'-(disulfanediyl)dipyridine-κ^2^<i>N</i>:<i>N</i>']] monohydrate]
• Authors of publication: Zhang, Jie; Xu, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m788 - m789
• a: 9.851 ± 0.002 Å
• b: 11.13 ± 0.002 Å
• c: 18.319 ± 0.004 Å
• α: 90.38 ± 0.03°
• β: 98.88 ± 0.03°
• γ: 115.89 ± 0.03°
• Cell volume: 1779.1 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes