Information card for entry 4103899

Structure parameters

• Formula: C35 H43 Cu2 N3 O16
• Calculated formula: C26 H8 Cu2 O10
• Title of publication: High Capacity Hydrogen Adsorption in Cu(II) Tetracarboxylate Framework Materials: The Role of Pore Size, Ligand Functionalization, and Exposed Metal Sites
• Authors of publication: Xiang Lin; Irvin Telepeni; Alexander J. Blake; Anne Dailly; Craig M. Brown; Jason M. Simmons; Marco Zoppi; Gavin S. Walker; K. Mark Thomas; Timothy J. Mays; Peter Hubberstey; Neil R. Champness; Martin Schröder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2159 - 2171
• a: 18.513 ± 0.001 Å
• b: 18.513 ± 0.001 Å
• c: 45.354 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13461.7 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.161
• Residual factor for significantly intense reflections: 0.113
• Weighted residual factors for significantly intense reflections: 0.312
• Weighted residual factors for all reflections included in the refinement: 0.336
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No