Information card for entry 2221436

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(4-methylbenzenethiolato)cadium(II)]-μ-1,3-di-4- pyridylpropane]
• Formula: C27 H28 Cd N2 S2
• Calculated formula: C27 H28 Cd N2 S2
• SMILES: [Cd](Sc1ccc(cc1)C)(Sc1ccc(cc1)C)([n]1ccc(cc1)CCCc1cc[n](cc1)[Cd](Sc1ccc(cc1)C)Sc1ccc(cc1)C)[n]1ccc(CCCc2ccncc2)cc1
• Title of publication: <i>catena</i>-Poly[[bis(4-methylbenzenethiolato)cadium(II)]-μ-1,3-di-4-pyridylpropane]
• Authors of publication: Zhang, Yan; Zhou, Yan; Han, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m447
• a: 11.922 ± 0.002 Å
• b: 16.792 ± 0.003 Å
• c: 12.862 ± 0.003 Å
• α: 90°
• β: 91.06 ± 0.03°
• γ: 90°
• Cell volume: 2574.5 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes