Information card for entry 1553079

Structure parameters

• Formula: C32 H46 Br2 Co N3 O4
• Calculated formula: C32 H44 Br2 Co N3 O4
• Title of publication: Efficient C-H Bond Activations <i>via</i> O₂ Cleavage by a Dianionic Cobalt(II) Complex.
• Authors of publication: Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don
• Journal of publication: Chemical science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 2874 - 2878
• a: 18.491 ± 0.0011 Å
• b: 8.1781 ± 0.0004 Å
• c: 21.8017 ± 0.0013 Å
• α: 90°
• β: 93.873 ± 0.003°
• γ: 90°
• Cell volume: 3289.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No