Information card for entry 4503794

Structure parameters

• Formula: C34 H58 Cd2 N18 O18
• Calculated formula: C34 H52 Cd2 N18 O18
• Title of publication: A New “Opened-Cube” (H2O)10Cluster and Undulated Water Chain in Porous Metal−Organic Frameworks
• Authors of publication: Wang, Li-Yan; Yang, Yuan; Liu, Kui; Li, Bao-Long; Zhang, Yong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 3902
• a: 12.6665 ± 0.0016 Å
• b: 18.196 ± 0.002 Å
• c: 10.9031 ± 0.0014 Å
• α: 90°
• β: 103.115 ± 0.003°
• γ: 90°
• Cell volume: 2447.4 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No