Information card for entry 4130629

Structure parameters

• Formula: C92 H76 B6 Co2 F24 N19 O0.5
• Calculated formula: C92 H76 B6 Co2 F24 N19 O0.5
• 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: 15.00712 ± 0.0002 Å
• b: 16.8669 ± 0.0002 Å
• c: 20.439 ± 0.0003 Å
• α: 73.1727 ± 0.0012°
• β: 68.6423 ± 0.0012°
• γ: 80.3164 ± 0.0011°
• Cell volume: 4600.53 ± 0.12 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No