Information card for entry 7011598

Structure parameters

• Chemical name: LAMBDA(+)578-[(en)2Co(O2CCH=NH)]Br2,H2O
• Formula: C6 H20 Br2 Co N5 O3
• Calculated formula: C6 H18 Br2 Co N5 O3
• SMILES: [Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)OC(=O)C=[NH]3.O.[Br-].[Br-]
• 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: 8.13 ± 0.0002 Å
• b: 8.373 ± 0.0003 Å
• c: 20.966 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1427.21 ± 0.07 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No