Information card for entry 7105596

Structure parameters

• Formula: C44 H42 Co N8 O2
• Calculated formula: C44 H42 Co N8 O2
• SMILES: c1[n]2c(ccc1)c1c3n(c4[n]1[Co]152([n]2ccccc2c2c6ccccn6c([n]12)c1ccc(N(CC)CC)cc1O5)Oc1c4ccc(N(CC)CC)c1)cccc3
• 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: 13.789 ± 0.0006 Å
• b: 13.789 ± 0.0006 Å
• c: 19.1083 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3633.2 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No