Information card for entry 2222554

Structure parameters

• Chemical name: Tetraaquabis(3,5-di-4-pyridyl-1<i>H</i>-1,2,4-triazolido)cadmium(II) dihydrate
• Formula: C24 H28 Cd N10 O6
• Calculated formula: C24 H28 Cd N10 O6
• SMILES: c1cc(cc[n]1[Cd]([OH2])([OH2])([n]1ccc(cc1)c1[n]nc(c2ccncc2)n1)([OH2])[OH2])c1[n]nc(n1)c1ccncc1.O.O
• Title of publication: Tetraaquabis(3,5-di-4-pyridyl-1<i>H</i>-1,2,4-triazolido)cadmium(II) dihydrate
• Authors of publication: Liu, Ti-Lou; Zhang, Yun-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m913
• a: 7.503 ± 0.0015 Å
• b: 15.748 ± 0.003 Å
• c: 12.009 ± 0.002 Å
• α: 90°
• β: 106.68 ± 0.03°
• γ: 90°
• Cell volume: 1359.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes