Information card for entry 4501377

Structure parameters

• Formula: C12 H12 N3 O9 Zn
• Calculated formula: C12 H12 N3 O9 Zn
• Title of publication: Two Solvent-Dependent Zinc(II) Supramolecular Isomers: Rarekgdand Lonsdaleite Network Topologies Based on a Tripodal Flexible Ligand
• Authors of publication: Cui, Peipei; Wu, Junling; Zhao, Xiaoliang; Sun, Di; Zhang, Liangliang; Guo, Jie; Sun, Daofeng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5182
• a: 24.665 ± 0.002 Å
• b: 10.7741 ± 0.0009 Å
• c: 16.0097 ± 0.0014 Å
• α: 90°
• β: 93.126 ± 0.001°
• γ: 90°
• Cell volume: 4248.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0372
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No