Information card for entry 2222386

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquabis(thiocyanato-κ<i>N</i>)cobalt(II)]-μ-4,4'- bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4,4'-bipyridine solvate]
• Formula: C22 H20 Co N6 O2 S2
• Calculated formula: C22 H20 Co N6 O2 S2
• SMILES: [Co]([OH2])([OH2])(N=C=S)(N=C=S)([n]1ccc(cc1)c1cc[n](cc1)[Co]([OH2])([OH2])(N=C=S)N=C=S)[n]1ccc(c2ccncc2)cc1.n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1
• Title of publication: <i>catena</i>-Poly[[diaquabis(thiocyanato-κ<i>N</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4,4'-bipyridine solvate]
• Authors of publication: Yao, Rufu; Wang, Dong E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m813
• a: 7.4433 ± 0.0011 Å
• b: 9.0147 ± 0.0011 Å
• c: 10.1114 ± 0.0013 Å
• α: 107.77 ± 0.002°
• β: 103.978 ± 0.002°
• γ: 97.038 ± 0.002°
• Cell volume: 612.66 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes