Information card for entry 2221757

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aquanickel(II)]-μ-pyridine-2,6- dicarboxylato-[aquanickel(II)]-μ-2,5-di-4-pyridyl-1,3,4-thiadiazole]
• Formula: C26 H18 N6 Ni2 O10 S
• Calculated formula: C26 H18 N6 Ni2 O10 S
• SMILES: C1(=O)O[Ni]2([n]3c1cccc3C(=O)O2)([n]1ccc(cc1)c1nnc(s1)c1cc[n](cc1)[Ni]12[n]3c(C(=O)O1)cccc3C(=O)O2)[OH2].O
• Title of publication: <i>catena</i>-Poly[[aquanickel(II)]-μ-pyridine-2,6-dicarboxylato-[aquanickel(II)]-μ-2,5-di-4-pyridyl-1,3,4-thiadiazole]
• Authors of publication: Zhang, Xin-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m497
• a: 8.2998 ± 0.0012 Å
• b: 10.0819 ± 0.0015 Å
• c: 17.318 ± 0.003 Å
• α: 96.652 ± 0.002°
• β: 100.629 ± 0.002°
• γ: 108.077 ± 0.002°
• Cell volume: 1330.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0767
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes