Information card for entry 7210561

Structure parameters

• Formula: C68 H64 N12 O22 Zn3
• Calculated formula: C68 H48 N12 O14 Zn3
• Title of publication: Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters
• Authors of publication: Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 40
• Pages of publication: 8214
• a: 11.042 ± 0.0007 Å
• b: 42.906 ± 0.001 Å
• c: 15.604 ± 0.003 Å
• α: 90°
• β: 97.004 ± 0.001°
• γ: 90°
• Cell volume: 7337.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1055
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No