Information card for entry 4129480

Structure parameters

• Formula: C56.33 H58.66 Co2 N8 O12
• Calculated formula: C56.314 H58.628 Co2 N8 O12
• 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: 10.2208 ± 0.0003 Å
• b: 23.966 ± 0.0009 Å
• c: 11.4286 ± 0.0004 Å
• α: 90°
• β: 91.7114 ± 0.0016°
• γ: 90°
• Cell volume: 2798.21 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0782
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No