Information card for entry 4126904

Structure parameters

• Formula: C20 H12 N6 O8 Zn3
• Calculated formula: C20 H12 N6 O8 Zn3
• Title of publication: Distinctive Three-Step Hysteretic Sorption of Ethane with In-situ Crystallographic Visualization of the Pore Forms in a Soft Porous Crystal.
• Authors of publication: Lama, Prem; Barbour, Leonard J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 9.102 ± 0.003 Å
• b: 10.739 ± 0.004 Å
• c: 11.209 ± 0.004 Å
• α: 115.321 ± 0.01°
• β: 97.689 ± 0.009°
• γ: 97.641 ± 0.009°
• Cell volume: 959.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2122
• Residual factor for significantly intense reflections: 0.1207
• Weighted residual factors for significantly intense reflections: 0.2959
• Weighted residual factors for all reflections included in the refinement: 0.3415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No