Information card for entry 7208399

Structure parameters

• Formula: C36 H36 N6 O14 Zn3
• Calculated formula: C26 H14 N4 O12 Zn3
• Title of publication: Synthesis and characterization of a zinc metal‒organic framework with chiral nano-pores
• Authors of publication: Shen, Lingjuan; Gray, Danielle; Masel, Richard I.; Girolami, Gregory S.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 5145
• a: 15.1751 ± 0.0003 Å
• b: 15.1751 ± 0.0003 Å
• c: 22.5604 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5195.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No