Information card for entry 7105593

Structure parameters

• Formula: C39 H25 Co N6.5 O3
• Calculated formula: C39 H25 Co N6.5 O3
• Title of publication: Spontaneous chiral resolution of mer-[Co(II)(N,N,O-L3)2] enantiomers mediated by pi-pi interactions.
• Authors of publication: Wu, Jin-Ji; Cao, Man-Li; Ye, Bao-Hui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 3687 - 3689
• a: 21.4667 ± 0.0015 Å
• b: 12.2495 ± 0.0009 Å
• c: 24.7299 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6502.9 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No