Information card for entry 4503790

Structure parameters

• Formula: C18 H25 Cl2 Cu N8 O16.5
• Calculated formula: C18 H20 Cl2 Cu N8 O14.5
• Title of publication: Construction of Three-Dimensional Honeycomb-like Supramolecular Host Network with Dicationic Metallotecton Cu[(2-C4H3N2)2C(OH)2]22+through Cooperative Hydrogen-Bonding and Anion-π Interactions
• Authors of publication: Wan, Chong-Qing; Li, Gui-Sheng; Chen, Xu-Dong; Mak, Thomas C. W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 3897
• a: 30.6147 ± 0.0018 Å
• b: 30.6147 ± 0.0018 Å
• c: 8.3342 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6764.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No