Information card for entry 2224599

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diiodidocadmium(II)]-μ-4,4'-di-4-pyridyl-2,2'- disulfanediyldipyrimidine]
• Formula: C18 H12 Cd I2 N6 S2
• Calculated formula: C18 H12 Cd I2 N6 S2
• SMILES: [Cd](I)(I)([n]1ccc(c2nc(SSc3nc(c4ccncc4)ccn3)ncc2)cc1)[n]1ccc(c2nc(SSc3nc(c4cc[n]([Cd](I)I)cc4)ccn3)ncc2)cc1
• Title of publication: <i>catena</i>-Poly[[diiodidocadmium(II)]-μ-4,4'-di-4-pyridyl-2,2'-disulfanediyldipyrimidine]
• Authors of publication: Zhu, Hai-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m1
• a: 10.0145 ± 0.0007 Å
• b: 10.7294 ± 0.0008 Å
• c: 11.7217 ± 0.0009 Å
• α: 93.133 ± 0.001°
• β: 109.886 ± 0.001°
• γ: 97.726 ± 0.001°
• Cell volume: 1166.81 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes