Information card for entry 7011830

Structure parameters

• Formula: C141 H146 B2 Cl6 Co2 N6 O2
• Calculated formula: C141 H146 B2 Cl6 Co2 N6 O2
• SMILES: [Co]12(Oc3ccccc3)[N](C3CC([N]1=CC=Cc1ccccc1)CC([N]2=CC=Cc1ccccc1)C3)=CC=Cc1ccccc1.ClCCl.ClCCl.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C1CCCCC1.C1CCCCC1
• Title of publication: Preparation of cationic cobalt phenoxide and ethoxide complexes and their reversible reaction with carbon dioxide
• Authors of publication: Archibald, Stephen J.; Foxon, Simon P.; Freeman, Jonathan D.; Hobson, James E.; Perutz, Robin N.; Walton, Paul H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 2797
• a: 18.31 ± 0.03 Å
• b: 22.022 ± 0.011 Å
• c: 17.219 ± 0.006 Å
• α: 98.97 ± 0.04°
• β: 92.61 ± 0.07°
• γ: 67.78 ± 0.05°
• Cell volume: 6348 ± 11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1879
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No