Information card for entry 7105597

Structure parameters

• Formula: C44 H42 Co N8 O2
• Calculated formula: C44 H42 Co N8 O2
• SMILES: N(c1cc2O[Co]345([n]6ccccc6c6c7ccccn7c([n]36)c2cc1)[n]1ccccc1c1c2ccccn2c([n]41)c1ccc(N(CC)CC)cc1O5)(CC)CC
• 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: 13.7816 ± 0.0004 Å
• b: 13.7816 ± 0.0004 Å
• c: 19.1276 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3633 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No