Information card for entry 7054620

Structure parameters

• Formula: C10 H13 N4 O3 Zn
• Calculated formula: C6 H4 N3 O2 Zn
• Title of publication: Cage-like pores of a metal‒organic framework for separations and encapsulation of Pd nanoparticles for efficient catalysis
• Authors of publication: Zhu, Yu; Wang, Yan-Mei; Liu, Pan; Wu, Yun-Long; Wei, Wei; Xia, Chang-Kun; Xie, Ji-Min
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 4
• Pages of publication: 2669
• a: 13.4761 ± 0.0019 Å
• b: 13.4761 ± 0.0019 Å
• c: 27.254 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4949.5 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No