Information card for entry 7209070

Structure parameters

• Formula: C14 H15 I N6 O6 Zn
• Calculated formula: C14 H15 I N6 O6 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: 20.91 ± 0.004 Å
• b: 10.2807 ± 0.0013 Å
• c: 20.029 ± 0.003 Å
• α: 90°
• β: 120.564 ± 0.003°
• γ: 90°
• Cell volume: 3707.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No