Information card for entry 7113102

Structure parameters

• Formula: C26.5 H18 Cu N6 O6.5
• Calculated formula: C26.5 H18 Cu N6 O6.5
• Title of publication: A biporous coordination framework with high H2 storage density
• Authors of publication: Yang, Wenbin; Lin, Xiang; Jia, Junhua; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 359 - 361
• a: 12.2342 ± 0.0011 Å
• b: 25.093 ± 0.002 Å
• c: 19.6064 ± 0.0018 Å
• α: 90°
• β: 104.225 ± 0.002°
• γ: 90°
• Cell volume: 5834.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.113
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.215
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102817
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No