Information card for entry 4300222

Structure parameters

• Formula: C73 H93 Cl3 N4 O24
• Calculated formula: C72.6 H88 Cl1.8 N4 O24
• Title of publication: Metal-Assembled Cobalt(II) Resorc[4]arene-Based Cage Molecules That Reversibly Capture Organic Molecules from Water and Act as NMR Shift Reagents
• Authors of publication: O. Danny Fox; Jenny F.-Y. Leung; Jesse M. Hunter; N. Kent Dalley; Roger G. Harrison
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 783 - 790
• a: 17.766 ± 0.011 Å
• b: 17.159 ± 0.01 Å
• c: 25.958 ± 0.009 Å
• α: 90°
• β: 106.3 ± 0.04°
• γ: 90°
• Cell volume: 7595 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1854
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections: 0.28
• Weighted residual factors for significantly intense reflections: 0.1872
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No