Information card for entry 7011600

Structure parameters

• Chemical name: (LAMBDA-S,DELTA-R)-[(en)2Co{O2CCH(CH(CO2Et)2)NH2}](ClO)2
• Formula: C13 H30 Cl2 Co N5 O14
• Calculated formula: C13 H30 Cl2 Co N5 O14
• SMILES: [Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)OC(=O)C([NH2]3)C(C(=O)OCC)C(=O)OCC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Metal complex amino acid synthons: syntheses, structures and stereoselective reactions of (iminoacetato)cobalt(iii) complexes
• Authors of publication: Bendahl, Lars; Hammershøi, Anders; Jensen, Dan Kjærgaard; Larsen, Sine; Riisager, Anders; Sargeson, Alan M.; Sørensen, Henning Osholm
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 3054
• a: 23.983 ± 0.0002 Å
• b: 8.824 ± 0.0006 Å
• c: 22.029 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4661.9 ± 0.3 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No