Information card for entry 2237059

Structure parameters

• Chemical name: Poly[(μ~3~-pyridine-4-carboxylato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>)(pyridin- 1-ium-4-carboxylato-κ<i>O</i>)(thiocyanato-κ<i>N</i>)cobalt(II)]
• Formula: C13 H9 Co N3 O4 S
• Calculated formula: C13 H9 Co N3 O4 S
• Title of publication: Poly[(μ~3~-pyridine-4-carboxylato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>)(pyridin-1-ium-4-carboxylato-κ<i>O</i>)(thiocyanato-κ<i>N</i>)cobalt(II)]
• Authors of publication: Neumann, Tristan; Werner, Julia; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1435
• a: 8.7857 ± 0.0007 Å
• b: 13.5401 ± 0.0008 Å
• c: 12.2054 ± 0.0009 Å
• α: 90°
• β: 95.74 ± 0.006°
• γ: 90°
• Cell volume: 1444.67 ± 0.18 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: 0.0594
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes