Information card for entry 4126905

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: 8.8288 ± 0.0004 Å
• b: 19.6384 ± 0.0009 Å
• c: 8.0916 ± 0.0004 Å
• α: 90°
• β: 115.063 ± 0.002°
• γ: 90°
• Cell volume: 1270.85 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No