Information card for entry 4509383

Structure parameters

• Formula: C27 H31 Cl2 N5 O2 Zn
• Calculated formula: C27 H25 Cl2 N5 O2 Zn
• Title of publication: Construction of Three-Dimensional Metal−Organic Frameworks with Helical Character through Coordinative and Supramolecular Interactions
• Authors of publication: Chen, Jian-Qiao; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan; Zhan, Xu-Lin; Zhao, Gang; Zhang, Zhong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1605
• a: 14.2056 ± 0.0009 Å
• b: 12.3352 ± 0.0008 Å
• c: 17.8585 ± 0.0011 Å
• α: 90°
• β: 106.89 ± 0.007°
• γ: 90°
• Cell volume: 2994.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1059
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No