Information card for entry 7715195

Structure parameters

• Formula: C22 H18 Co N5 O3
• Calculated formula: C22 H18 Co N5 O3
• SMILES: [Co]1234([N](C(=C(N2Cc2[n]3cccc2)C#N)C#N)=Cc2c(O1)cccc2)[O]=C(C=C(O4)C)C
• 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: 8.8732 ± 0.0016 Å
• b: 10.2837 ± 0.0019 Å
• c: 14.993 ± 0.003 Å
• α: 78.404 ± 0.004°
• β: 79.175 ± 0.004°
• γ: 66.066 ± 0.004°
• Cell volume: 1216.3 ± 0.4 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No