Information card for entry 4130632

Structure parameters

• Formula: C250 H231 Co4 F72 N65 P12
• Calculated formula: C192 H144 Co4 F72 N36 P12
• Title of publication: Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.
• Authors of publication: Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 29
• Pages of publication: 9308 - 9315
• a: 18.6723 ± 0.0003 Å
• b: 38.7772 ± 0.0008 Å
• c: 38.7947 ± 0.0006 Å
• α: 90°
• β: 92.084 ± 0.0016°
• γ: 90°
• Cell volume: 28071.1 ± 0.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.204
• Residual factor for significantly intense reflections: 0.1725
• Weighted residual factors for significantly intense reflections: 0.4398
• Weighted residual factors for all reflections included in the refinement: 0.4577
• Goodness-of-fit parameter for all reflections included in the refinement: 3.301
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No