Information card for entry 7125500

Structure parameters

• Formula: C32 H53 B Co N8 O
• Calculated formula: C32 H53 B Co N8 O
• Title of publication: Formation and reactivity of a cobalt (II) hydroperoxide intermediate.
• Authors of publication: Thyagarajan, S.; Incarvito, C. D.; Rheingold, A. L.; Theopold, K. H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2001
• Journal issue: 21
• Pages of publication: 2198 - 2199
• a: 19.9942 ± 0.0002 Å
• b: 9.8211 ± 0.0002 Å
• c: 18.7466 ± 0.0002 Å
• α: 90°
• β: 109.131 ± 0.009°
• γ: 90°
• Cell volume: 3477.9 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 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: 0.0916
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.698
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No