Information card for entry 4123399

Structure parameters

• Formula: C174 H120 Cd4 Co2 F24 N18 O24 S8
• Calculated formula: C174 H120 Cd4 Co2 F24 N18 O24 S8
• Title of publication: Cooperative loading and release behavior of a metal-organic receptor.
• Authors of publication: Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 5
• Pages of publication: 1770 - 1773
• a: 39.838 ± 0.0019 Å
• b: 18.8938 ± 0.0008 Å
• c: 33.233 ± 0.0016 Å
• α: 90°
• β: 126.262 ± 0.002°
• γ: 90°
• Cell volume: 20169.5 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1504
• Residual factor for significantly intense reflections: 0.1301
• Weighted residual factors for significantly intense reflections: 0.3459
• Weighted residual factors for all reflections included in the refinement: 0.3659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No