Information card for entry 7213254

Structure parameters

• Common name: Bridged (beta-alkoxyalkyl)Co(III)salen
• Formula: C23 H27 Cl2 Co N2 O4
• Calculated formula: C23 H27 Cl2 Co N2 O4
• Title of publication: Bridged (β-alkoxyalkyl)CoIII(salen) complexes by intramolecular alkoxycobaltation of unactivated alkenes: new models for coenzyme B12
• Authors of publication: Blaauw, Rolf; Kingma, Irene E.; Laan, Jan H.; van der Baan, Juul L.; Balt, Sijbe; de Bolster, Martinus W. G.; Klumpp, Gerhard W.; Smeets, Wilberth J. J.; Spek, Anthony L.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 1199
• a: 12.4467 ± 0.0014 Å
• b: 11.4978 ± 0.0007 Å
• c: 19.0943 ± 0.0018 Å
• α: 90°
• β: 125.34 ± 0.007°
• γ: 90°
• Cell volume: 2229.1 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1424
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No