Information card for entry 7712558

Structure parameters

• Formula: C20 H24 Cl Co N4 O4
• Calculated formula: C20 H24 Cl Co N4 O4
• SMILES: C1(=O)[C@@H]2CCC[NH]2[Co]23([NH]4[C@H](C(=O)O3)CCC4)([n]3ccccc3c3cccc[n]23)O1.[Cl-]
• Title of publication: Cobalt complexes with α-amino acid ligands catalyze the incorporation of CO2 into cyclic carbonates
• Authors of publication: Castro-Ruiz, Andrés; Grefe, Lea; Mejía, Esteban; Suman, Sigridur G.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 13
• Pages of publication: 4186 - 4199
• a: 8.3459 ± 0.0006 Å
• b: 12.9372 ± 0.0009 Å
• c: 19.0279 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2054.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0302
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No