Information card for entry 7200999

Structure parameters

• Formula: C16 H10 N8 O5 Zn2
• Calculated formula: C16 H10 N8 O5 Zn2
• Title of publication: Interweaving of single-helical and equal double-helical chains with the same helical axis in a 3D metal‒organic framework
• Authors of publication: Guo, Huadong; Guo, Xianmin; Wang, Xiao; Li, Guanghua; Guo, Zhiyong; Su, Shengqun; Zhang, Hongjie
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1509
• a: 26.1227 ± 0.0012 Å
• b: 26.1227 ± 0.0012 Å
• c: 13.4564 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7952.4 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No