Information card for entry 7012222

Structure parameters

• Chemical name: tris(5,5'-di(methyl-N-valine)-2,2'-bipyridyl)cobalt(III)dichloride heptaperchlorate dodecahydrate diethanol
• Formula: C70 H132 Cl9 Co N12 O54
• Calculated formula: C70 H96 Cl9 Co N12 O54
• Title of publication: Iron and cobalt complexes of 5,5'-di(methylene-N-aminoacidyl)-2,2'-bipyridyl ligands: ligand design for diastereoselectivity and anion bindingElectronic supplementary information (ESI) available: 1H NMR spectrum of [Co(1)3]3+ as a function of pH; 2D NOESY 1H NMR spectrum of [Co(1)3Cl2]+; 2D ROESY 1H NMR spectrum of [Co(1)3]3+. See http://www.rsc.org/suppdata/dt/b2/b208934c/
• Authors of publication: Telfer, Shane G.; Bernardinelli, Gérald; Williams, Alan F.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 435
• a: 14.4363 ± 0.0009 Å
• b: 20.2358 ± 0.0008 Å
• c: 20.0112 ± 0.0014 Å
• α: 90°
• β: 110.184 ± 0.008°
• γ: 90°
• Cell volume: 5486.9 ± 0.6 ų
• Cell temperature: 200 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 2.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No