Information card for entry 4511154

Structure parameters

• Formula: C18 H22 N6 O12 Zn2
• Calculated formula: C18 H22 N6 O12 Zn2
• Title of publication: Structural Versatility of Eight Zinc(II) Coordination Polymers Constructed with a Long Flexible Ligand 1,4-Bis(1,2,4-triazol-1-yl)butane
• Authors of publication: Liu, Xun-Gao; Wang, Li-Yan; Zhu, Xia; Li, Bao-Long; Zhang, Yong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 3997
• a: 8.6296 ± 0.0018 Å
• b: 9.608 ± 0.002 Å
• c: 14.497 ± 0.003 Å
• α: 90°
• β: 93.097 ± 0.005°
• γ: 90°
• Cell volume: 1200.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No