Information card for entry 2203931

Structure parameters

• Formula: C28 H48 N2 O4 P2 S4 Zn
• Calculated formula: C28 H48 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)CCc1ccncc1)[n]1ccc(cc1)CCc1cc[n](cc1)[Zn]12([S]=P(S1)(OCC(C)C)OCC(C)C)[S]=P(S2)(OCC(C)C)OCC(C)C
• Title of publication: <i>catena</i>-Poly[[bis(<i>O,O</i>'-diisobutyldithiophosphato-κ^2^<i>S,S</i>')zinc(II)]-μ-1,2-bis(4-pyridyl)ethane-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Chian-Sing Lai; Sikai Liu; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m1005 - m1007
• a: 9.5874 ± 0.0005 Å
• b: 9.4468 ± 0.0005 Å
• c: 19.408 ± 0.0011 Å
• α: 90°
• β: 94.293 ± 0.001°
• γ: 90°
• Cell volume: 1752.86 ± 0.16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes