Information card for entry 2215957

Structure parameters

• Chemical name: catena-Poly[[bis(O-isopropyl dithiocarbonato-κ^2^S,S')nickel(II)]-μ-1,2-di-4-pyridylethane-κ^2^N:N']
• Formula: C20 H26 N2 Ni O2 S4
• Calculated formula: C20 H26 N2 Ni O2 S4
• SMILES: [Ni]12([S]=C(S1)OC(C)C)([S]=C(S2)OC(C)C)[n]1ccc(cc1)CCc1cc[n](cc1)[Ni]12([S]=C(S2)OC(C)C)([S]=C(S1)OC(C)C)[n]1ccc(cc1)CCc1ccncc1
• Title of publication: <i>catena</i>-Poly[[bis(<i>O</i>-isopropyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')nickel(II)]-μ-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Hill, Denise D.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2808 - m2808
• a: 10.146 ± 0.0006 Å
• b: 15.8638 ± 0.001 Å
• c: 15.0545 ± 0.0009 Å
• α: 90°
• β: 104.256 ± 0.003°
• γ: 90°
• Cell volume: 2348.5 ± 0.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes