Information card for entry 2210267

Structure parameters

• Chemical name: catena-Poly[[bis(O,O'-diisobutyl dithiophosphato-κ^2^S,S')zinc(II)]- μ-1,2-di-4-pyridylethylene-κ^2^N:N']
• Formula: C28 H46 N2 O4 P2 S4 Zn
• Calculated formula: C28 H46 N2 O4 P2 S4 Zn
• SMILES: [Zn]12([S]=P(S1)(OCC(C)C)OCC(C)C)([S]=P(S2)(OCC(C)C)OCC(C)C)([n]1ccc(cc1)/C=C/c1cc[n](cc1)[Zn]12([S]=P(S2)(OCC(C)C)OCC(C)C)[S]=P(S1)(OCC(C)C)OCC(C)C)[n]1ccc(cc1)/C=C/c1ccncc1
• Title of publication: <i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-diisobutyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')zinc(II)]-μ-1,2-di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Welte, William B.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2070 - m2072
• a: 9.735 ± 0.002 Å
• b: 9.428 ± 0.002 Å
• c: 19.035 ± 0.005 Å
• α: 90°
• β: 94.797 ± 0.007°
• γ: 90°
• Cell volume: 1740.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes