Information card for entry 4514214

Structure parameters

• Formula: C78 H56 N2 O34 Zr6
• Calculated formula: C78 H56 N2 O34 Zr6
• Title of publication: Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.
• Authors of publication: Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 39
• Pages of publication: 33408 - 33412
• a: 34.15 ± 0.03 Å
• b: 34.153 Å
• c: 14.656 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17094 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 138
• Hermann-Mauguin space group symbol: P 42/n c m
• Hall space group symbol: -P 4ac 2ac
• Residual factor for all reflections: 0.1771
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2187
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No