Information card for entry 4110345

Structure parameters

• Common name: [Cd7(C5HN2O4)6].K3.(H2O)6.(C16H36N)
• Formula: C46 H54 Cd7 K3 N13 O30
• Calculated formula: C45.96 H6 Cd7 K3 N13 O30
• Title of publication: Two Stable 3D Metal-Organic Frameworks Constructed by Nanoscale Cages via Sharing the Single-Layer Walls
• Authors of publication: Wen-Guan Lu; Cheng-Yong Su; Tong-Bu Lu; Long Jiang; Jia-Mei Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 34 - 35
• a: 14.3027 ± 0.001 Å
• b: 14.3027 ± 0.001 Å
• c: 21.493 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3807.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No