Information card for entry 4317609

Structure parameters

• Formula: C112 H145.5 Co4 K4 Mg2 N8 O88.5
• Calculated formula: C112 H104 Co4 Mg2 N8 O88.5
• Title of publication: Cation Control of Pore and Channel Size in Cage-Based Metal-Organic Porous Materials
• Authors of publication: Roger G. Harrison; O. Danny Fox; Mark O. Meng; N. Kent Dalley; Leonard J. Barbour
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 838 - 843
• a: 31.683 ± 0.002 Å
• b: 31.683 ± 0.002 Å
• c: 105.352 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 91585 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.2516
• Residual factor for significantly intense reflections: 0.1364
• Weighted residual factors for significantly intense reflections: 0.3465
• Weighted residual factors for all reflections included in the refinement: 0.3901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No