Information card for entry 2238915

Structure parameters

• Chemical name: Poly[[(μ~2~-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>')bis{μ~2~-<i>N</i>-[2-(2-hydroxybenzoyl)carbamothioyl]acetamidato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>S</i>}bis(nitrato-κ^2^<i>O</i>,<i>O</i>')dicadmium] dimethylformamide tetrasolvate]
• Formula: C42 H56 Cd2 N14 O16 S2
• Calculated formula: C42 H56 Cd2 N14 O16 S2
• SMILES: [Cd]1234(ON(=[O]2)=O)(SC2NC(C)=[O][Cd]56(ON(=[O]6)=O)(SC(NC(=[O]3)C)=[N]4NC(=[O]1)c1c(O)cccc1)([O]=C(N[N]=25)c1c(O)cccc1)[n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1cc[n](cc1)[Cd]1234(ON(=[O]4)=O)SC4NC(C)=[O][Cd]56(ON(=[O]5)=O)(SC(NC(=[O]2)C)=[N]1NC(=[O]3)c1c(O)cccc1)[O]=C(N[N]=46)c1c(O)cccc1.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: Poly[[(μ~2~-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>')bis{μ~2~-<i>N</i>-[2-(2-hydroxybenzoyl)carbamothioyl]acetamidato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>S</i>}bis(nitrato-κ^2^<i>O</i>,<i>O</i>')dicadmium] dimethylformamide tetrasolvate]
• Authors of publication: You, Ming-Hua; Li, Fo-Jun; Yang, Xiao-Ping; Lin, Xu-Xiang; Ye, Hua-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: m647 - m648
• a: 13.831 ± 0.003 Å
• b: 15.28 ± 0.003 Å
• c: 14.363 ± 0.003 Å
• α: 90°
• β: 110.55 ± 0.03°
• γ: 90°
• Cell volume: 2842.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No