Information card for entry 4129481

Structure parameters

• Formula: C60.4 H50 Co2 N10.4 O16.8
• Calculated formula: C60.436 H50.03 Co2 N10.406 O16.812
• Title of publication: Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.
• Authors of publication: Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 37
• Pages of publication: 12045 - 12049
• a: 10.2416 ± 0.0006 Å
• b: 24.956 ± 0.0015 Å
• c: 11.4453 ± 0.0007 Å
• α: 90°
• β: 91.106 ± 0.003°
• γ: 90°
• Cell volume: 2924.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No