Information card for entry 4119235

Structure parameters

• Formula: C4 H14 O8 P2 Zn
• Calculated formula: C4 H14 O8 P2 Zn
• Title of publication: MOFs Under Pressure: The Reversible Compression of a Single Crystal
• Authors of publication: Kevin J. Gagnon; Christine M. Beavers; Abraham Clearfield
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 1252 - 1255
• a: 18.515 ± 0.004 Å
• b: 8.291 ± 0.0019 Å
• c: 8.2652 ± 0.0019 Å
• α: 90°
• β: 113.837 ± 0.002°
• γ: 90°
• Cell volume: 1160.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.6048 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No