Information card for entry 1548652

Structure parameters

• Formula: C273 H263.5 B60.5 Co6 F19.5 N62.5 O20.5 S6.5
• Calculated formula: C265.001 H263.5 B66 Co6 F12.003 N62.5 O13.003 S4.001
• Title of publication: Quantified structural speciation in self-sorted CoII6L₄ cage systems.
• Authors of publication: Rizzuto, Felix J.; Kieffer, Marion; Nitschke, Jonathan R.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1925 - 1930
• a: 25.0303 ± 0.0004 Å
• b: 26.7592 ± 0.0005 Å
• c: 34.5514 ± 0.0007 Å
• α: 68.113 ± 0.0017°
• β: 88.8092 ± 0.0017°
• γ: 66.5154 ± 0.0014°
• Cell volume: 19472.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1399
• Residual factor for significantly intense reflections: 0.1179
• Weighted residual factors for significantly intense reflections: 0.3293
• Weighted residual factors for all reflections included in the refinement: 0.3464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No