Information card for entry 1566019

Structure parameters

• Formula: C20 H32 Cl4 Co2 N4 O8
• Calculated formula: C20 H32 Cl4 Co2 N4 O8
• SMILES: c1cccc2[C@H]3[NH]4[C@](CO3)(C[OH][Co]34([n]12)([OH2])[Cl][Co]12([NH]4[C@@H](c5cccc[n]15)OC[C@]4(C[OH]2)CO)([OH2])[Cl]3)CO.[Cl-].[Cl-]
• Title of publication: Homobinuclear compounds based on a chiral oxazolidine ligand: From solid state study to aqueous solution dynamics
• Authors of publication: Areas, Esther S.; Junior, Henrique C.S.; Freitas, Brunno P.; Ferreira, Glaucio B.; Guedes, Guilherme P.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2022
• Journal volume: 529
• Pages of publication: 120664
• a: 7.3616 ± 0.0003 Å
• b: 9.0186 ± 0.0003 Å
• c: 11.5236 ± 0.0005 Å
• α: 73.4 ± 0.003°
• β: 88.075 ± 0.002°
• γ: 73.363 ± 0.002°
• Cell volume: 701.52 ± 0.05 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No