Information card for entry 7715196

Structure parameters

• Formula: C22 H17 Br Co N5 O3
• Calculated formula: C22 H17 Br Co N5 O3
• 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: 11.372 ± 0.003 Å
• b: 11.481 ± 0.004 Å
• c: 12.108 ± 0.004 Å
• α: 76.88 ± 0.005°
• β: 62.834 ± 0.004°
• γ: 80.875 ± 0.005°
• Cell volume: 1367 ± 0.8 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: 0.0603
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0917
• 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