Information card for entry 7209072

Structure parameters

• Formula: C15 H18 N6 O9 Zn
• Calculated formula: C15 H14 N6 O9 Zn
• Title of publication: Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties
• Authors of publication: Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 471
• a: 7.0083 ± 0.0016 Å
• b: 16.147 ± 0.003 Å
• c: 17.274 ± 0.004 Å
• α: 90°
• β: 93.804 ± 0.006°
• γ: 90°
• Cell volume: 1950.5 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No