Information card for entry 4511153

Structure parameters

• Formula: C42 H58 N18 O20 Zn3
• Calculated formula: C42 H58 N18 O20 Zn3
• 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: 9.5864 ± 0.0018 Å
• b: 10.2309 ± 0.0018 Å
• c: 14.952 ± 0.003 Å
• α: 97.849 ± 0.003°
• β: 106.2 ± 0.004°
• γ: 101.286 ± 0.003°
• Cell volume: 1352.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No