Information card for entry 7715194

Structure parameters

• Formula: C23 H19 Cl2 Co N6 O5
• Calculated formula: C22 H17 Co N6 O5
• SMILES: [Co]1234([O]=C(C=C(O1)C)C)Oc1c(C=[N]2C(=C(N4Cc2[n]3cccc2)C#N)C#N)cc(N(=O)=O)cc1
• Title of publication: Non-covalent interactions in molecular architectures and solvent-free catalytic activity towards CO₂ fixation of mononuclear Co(III) complexes installed on modified Schiff base ligands.
• Authors of publication: Barman, Souvik; Das, Dhiraj; Pal, Kuntal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5632 - 5647
• a: 10.277 ± 0.0005 Å
• b: 11.899 ± 0.0006 Å
• c: 12.2515 ± 0.0006 Å
• α: 63.338 ± 0.002°
• β: 81.714 ± 0.002°
• γ: 70.818 ± 0.002°
• Cell volume: 1264.54 ± 0.11 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0483
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No