Information card for entry 2204343

Structure parameters

• Chemical name: catena-poly[bis[cobalt(II)-2,5-bis(4-pyridyl) -1,3,4-thiadiazole](tetravanadate)(hexahydrate)]
• Formula: C12 H14 Co N4 O9 S V2
• Calculated formula: C12 H14 Co N4 O9 S V2
• SMILES: [Co]1([OH2])([OH2])([OH2])([n]2ccc(cc2)c2sc(nn2)c2ccncc2)[O]=[V]2(=[O][Co]([OH2])([OH2])([OH2])([n]3ccc(cc3)c3sc(nn3)c3ccncc3)[O]=[V]3(=[O]1)O[V](=O)(=O)O[V](=O)(=O)O[V](=O)(=O)O3)O[V](=O)(=O)O[V](=[O][Co]([n]1ccc(cc1)c1sc(nn1)c1ccncc1)([OH2])([OH2])[OH2])(=[O][Co]([n]1ccc(cc1)c1sc(nn1)c1ccncc1)([OH2])([OH2])[OH2])O[V](=O)(=O)O2
• Title of publication: <i>catena</i>-Poly[[bis[triaqua[2,5-bis(4-pyridyl)-1,3,4-thiadiazole]cobalt(II)]]-μ~4~-tetravanadato]
• Authors of publication: Zhang, Xian-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1411 - m1413
• a: 8.0562 ± 0.0018 Å
• b: 8.2506 ± 0.0018 Å
• c: 14.253 ± 0.003 Å
• α: 96.313 ± 0.003°
• β: 91.631 ± 0.003°
• γ: 103.402 ± 0.003°
• Cell volume: 914.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes