Information card for entry 2216070

Structure parameters

• Chemical name: Poly[tris(μ-di-4-pyridylamine-κ^2^N:N')tetrathiocyanato-κ^4^Ndicobalt(II)]
• Formula: C34 H27 Co2 N13 S4
• Calculated formula: C34 H27 Co2 N13 S4
• SMILES: [Co]1([n]2ccc(Nc3ccncc3)cc2)(N=C=S)(N=C=S)[n]2ccc(cc2)Nc2cc[n](cc2)[Co](N=C=S)(N=C=S)[n]2ccc(cc2)Nc2cc[n](cc2)[Co]2([n]3ccc(Nc4cc[n]1cc4)cc3)(N=C=S)(N=C=S)[n]1ccc(cc1)Nc1cc[n](cc1)[Co](N=C=S)(N=C=S)[n]1ccc(cc1)Nc1cc[n](cc1)[Co]1([n]3ccc(Nc4cc[n]2cc4)cc3)(N=C=S)(N=C=S)[n]2ccc(cc2)Nc2cc[n](cc2)[Co](N=C=S)(N=C=S)[n]2ccc(cc2)Nc2cc[n](cc2)[Co]([n]2ccc(Nc3cc[n]1cc3)cc2)(N=C=S)(N=C=S)[n]1ccc(cc1)Nc1cc[n](cc1)[Co](N=C=S)(N=C=S)[n]1ccc(cc1)Nc1ccncc1
• Title of publication: Poly[tris(μ-di-4-pyridylamine-κ^2^<i>N</i>:<i>N</i>')tetrathiocyanato-κ^4^<i>N</i>-dicobalt(II)]
• Authors of publication: Knapp, Warren R.; Martin, David P.; LaDuca, Robert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2745 - m2745
• a: 7.9245 ± 0.0002 Å
• b: 21.7051 ± 0.0005 Å
• c: 22.8134 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3923.95 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1772
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes