Information card for entry 4325879

Structure parameters

• Formula: C25 H32 N8 O18 S Zn3
• Calculated formula: C25 H20 N8 O18 S Zn3
• Title of publication: Formation of Zn(II) and Cd(II) Coordination Polymers Assembled by Triazine-Based Polycarboxylate and in-Situ-Generated Pyridine-4-thiolate or Dipyridylsulfide Ligands: Observation of an Unusual Luminescence Thermochromism
• Authors of publication: Qilong Zhu; Tianlu Sheng; Chunhong Tan; Shengmin Hu; Ruibiao Fu; Xintao Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7618 - 7624
• a: 10.4882 ± 0.0004 Å
• b: 19.2987 ± 0.0007 Å
• c: 18.1601 ± 0.0008 Å
• α: 90°
• β: 92.285 ± 0.003°
• γ: 90°
• Cell volume: 3672.8 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No