Information card for entry 7209282

Structure parameters

• Formula: C20 H18 N9 O9 S Zn2
• Calculated formula: C20 H18 N9 O9 S Zn2
• Title of publication: 2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties
• Authors of publication: Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 2009
• a: 12.668 ± 0.0005 Å
• b: 9.6186 ± 0.0004 Å
• c: 20.4254 ± 0.0008 Å
• α: 90°
• β: 95.966 ± 0.004°
• γ: 90°
• Cell volume: 2475.32 ± 0.17 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: 0.046
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No