Information card for entry 7242750

Structure parameters

• Formula: C23 H33.5 Cl Co N4.5 O4
• Calculated formula: C23 H33.5 Cl Co N4.5 O4
• SMILES: [Co]123(OC(=O)[C@@H]([NH2]1)CC(C)C)(OC(=O)[C@@H]([NH2]2)CC(C)C)[n]1ccccc1c1[n]3cccc1.[Cl-].[Cl-].N#CC
• Title of publication: Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide
• Authors of publication: Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 27
• Pages of publication: 16326 - 16338
• a: 21.1914 ± 0.001 Å
• b: 24.4687 ± 0.0011 Å
• c: 11.0348 ± 0.0005 Å
• α: 90°
• β: 93.193 ± 0.002°
• γ: 90°
• Cell volume: 5712.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No