Information card for entry 4302975

Structure parameters

• Common name: PCN-20
• Formula: C42 H24 Cu3 O15
• Calculated formula: C42 H24 Cu3 O15
• Title of publication: A Large-Surface-Area Boracite-Network-Topology Porous MOF Constructed from a Conjugated Ligand Exhibiting a High Hydrogen Uptake Capacity
• Authors of publication: Xi-Sen Wang; Shengqian Ma; Daqiang Yuan; Ji Woong Yoon; Young Kyu Hwang; Jong-San Chang; Xiaoping Wang; Mads Ry Jørgensen; Yu-Sheng Chen; Hong-Cai Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7519 - 7521
• a: 37.23 ± 0.009 Å
• b: 37.23 ± 0.009 Å
• c: 37.23 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 51603 ± 2 ų
• Cell temperature: 20 ± 2 K
• Ambient diffraction temperature: 20 ± 2 K
• Number of distinct elements: 4
• Space group number: 209
• Hermann-Mauguin space group symbol: F 4 3 2
• Hall space group symbol: F 4 2 3
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.4428 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No