Information card for entry 4509455

Structure parameters

• Formula: C6 H14 Cd3 N21 O2.5
• Calculated formula: C6 H14 Cd3 N21 O2.5
• Title of publication: A Three-Dimensional Porous Metal−Organic Framework with a Body-Centered Cubic Topology Constructed from 48-Membered Tetraicosanuclear Metallamacrocycle Based on in Situ Ligand Synthesis
• Authors of publication: Hsiu-Mei, Lin; Tsung-Yuan, Chang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 2988
• a: 22.1918 ± 0.0004 Å
• b: 22.1918 ± 0.0004 Å
• c: 18.5523 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9136.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No