Information card for entry 4129484

Structure parameters

• Formula: C115.49 H106.92 Cl1.18 Co4 N16 O26.88
• Calculated formula: C115.494 H106.918 Cl1.178 Co4 N16 O26.88
• 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: 11.4393 ± 0.0002 Å
• b: 24.6749 ± 0.0005 Å
• c: 20.3245 ± 0.0004 Å
• α: 90°
• β: 92.3471 ± 0.0006°
• γ: 90°
• Cell volume: 5732.05 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No