Information card for entry 1567575

Structure parameters

• Formula: C84 H100 Co2 N4 O6
• Calculated formula: C84 H100 Co2 N4 O6
• Title of publication: Direct observation of reversible bond homolysis by 2D EXSY NMR
• Authors of publication: Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 32
• Pages of publication: 9202 - 9209
• a: 11.1838 ± 0.0005 Å
• b: 12.1674 ± 0.0006 Å
• c: 15.6011 ± 0.0008 Å
• α: 72.164 ± 0.002°
• β: 70.4512 ± 0.0018°
• γ: 89.2308 ± 0.0019°
• Cell volume: 1895.03 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No