Information card for entry 7701171

Structure parameters

• Formula: C58 H66 N2 O16 S2
• Calculated formula: C58 H66 N2 O16 S2
• Title of publication: When cobalt-mediated [2 + 2 + 2] cycloaddition reaction dares go astray: synthesis of unprecedented cobalt(iii)-complexes.
• Authors of publication: Delorme, Marion; Punter, Alexander; Oliveira, Raquel; Aubert, Corinne; Carissan, Yannick; Parrain, Jean-Luc; Amatore, Muriel; Nava, Paola; Commeiras, Laurent
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 42
• Pages of publication: 15767 - 15771
• a: 12.7863 ± 0.0005 Å
• b: 16.4081 ± 0.0006 Å
• c: 27.3047 ± 0.0012 Å
• α: 90°
• β: 97.645 ± 0.004°
• γ: 90°
• Cell volume: 5677.6 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1878
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No