Information card for entry 1551910

Structure parameters

• Formula: C10 H8 Cu O5
• Calculated formula: C10 H8 Cu O5
• Title of publication: Hydrolytic stability in hemilabile metal-organic frameworks
• Authors of publication: Lauren N. McHugh; Matthew J. McPherson; Laura J. McCormick; Samuel A. Morris; Paul S. Wheatley; Simon J. Teat; David McKay; Daniel M. Dawson; Charlotte E. F. Sansome; Sharon E. Ashbrook; Corinne A. Stone; Martin W. Smith; Russell E. Morris
• Journal of publication: Nature Chemistry
• Year of publication: 2018
• Journal volume: 10
• Pages of publication: 1096 - 1102
• a: 33.028 ± 0.003 Å
• b: 33.028 ± 0.003 Å
• c: 5.2047 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4916.9 ± 0.8 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 157
• Hermann-Mauguin space group symbol: P 3 1 m
• Hall space group symbol: P 3 -2
• Residual factor for all reflections: 0.1685
• Residual factor for significantly intense reflections: 0.1515
• Weighted residual factors for significantly intense reflections: 0.3291
• Weighted residual factors for all reflections included in the refinement: 0.341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No