Information card for entry 2012764

Structure parameters

• Chemical name: Λ-trans(O)-(1,2-diaminoethane)bis(S-tyrosinato)cobalt(III) chloride tetrahydrate
• Formula: C20 H36 Cl Co N4 O10
• Calculated formula: C20 H36 Cl Co N4 O10
• SMILES: [Co]123([NH2]CC[NH2]1)(OC(=O)[C@@H]([NH2]2)Cc1ccc(O)cc1)OC(=O)[C@@H]([NH2]3)Cc1ccc(O)cc1.[Cl-].O.O.O.O
• Title of publication: Mixed cobalt(III) complexes with aromatic amino acids and diamines. III. Absolute structure of Λ-<i>trans</i>(O)-(1,2-diaminoethane-κ^2^<i>N</i>,<i>N</i>)bis(<i>S</i>-tyrosinato)cobalt(III) chloride tetrahydrate
• Authors of publication: Bogdanović, Goran A.; Miodragović, Djenana U.; Malinar, Mijat J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: m338 - m340
• a: 8.232 ± 0.003 Å
• b: 15.348 ± 0.005 Å
• c: 10.539 ± 0.003 Å
• α: 90°
• β: 94.5 ± 0.02°
• γ: 90°
• Cell volume: 1327.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 3 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes