Information card for entry 7006361

Structure parameters

• Formula: C18 H16 Cd N8 O2 S2
• Calculated formula: C18 H16 Cd N8 O2 S2
• SMILES: [Cd]([OH2])([OH2])(N=C=S)(N=C=S)([n]1cccc(c1)c1cn[nH]c1)[n]1cccc(c1)c1c[nH]nc1
• Title of publication: Synthesis of a series of 4-pyridyl-1,2,4-triazole-containing cadmium(II) luminescent complexes.
• Authors of publication: Ding, Bin; Yi, Long; Wang, Ying; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping; Jiang, Zong-Hui; Song, Hai-Bin; Wang, Hong-Gen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 5
• Pages of publication: 665 - 675
• a: 9.929 ± 0.0017 Å
• b: 10.0981 ± 0.0018 Å
• c: 10.9452 ± 0.0019 Å
• α: 87.578 ± 0.003°
• β: 74.968 ± 0.002°
• γ: 85.958 ± 0.003°
• Cell volume: 1056.9 ± 0.3 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: 0.0462
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No