Information card for entry 7210702

Structure parameters

• Formula: C96 H66 N4 O30 Zn2
• Calculated formula: C96 H66 N4 O30 Zn2
• Title of publication: Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand
• Authors of publication: He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 2731
• a: 8.792 ± 0.009 Å
• b: 15.468 ± 0.016 Å
• c: 15.983 ± 0.017 Å
• α: 104.543 ± 0.016°
• β: 93.056 ± 0.014°
• γ: 101.711 ± 0.014°
• Cell volume: 2048 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0961
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No