Information card for entry 7027947

Structure parameters

• Formula: C24 H18.64 Cu N4 O7.32
• Calculated formula: C24 H18.64 Cu N4 O7.32
• Title of publication: Encapsulation of discrete (H2O)12 clusters in a 3D three-fold interpenetrating metal‒organic framework host with (3,4)-connected topology
• Authors of publication: Wang, Xiuli; Lin, Hongyan; Mu, Bao; Tian, Aixiang; Liu, Guocheng
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 27
• Pages of publication: 6187 - 6189
• a: 18.5636 ± 0.0003 Å
• b: 18.5636 ± 0.0003 Å
• c: 19.7224 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5885.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No