Information card for entry 7039331

Structure parameters

• Formula: C24 H18 Co N12 O6
• Calculated formula: C24 H18 Co N12 O6
• SMILES: c1cccc2c3cn(c4ccccn4)n[n]3[Co]3(ON(=O)=O)([n]12)([n]1ccccc1c1cn(c2ccccn2)n[n]31)ON(=O)=O
• Title of publication: Synthesis and structural studies of 1,4-di(2-pyridyl)-1,2,3-triazole and its transition metal complexes; a versatile and subtly unsymmetric ligand.
• Authors of publication: McCarney, Eoin P.; Hawes, Chris S.; Blasco, Salvador; Gunnlaugsson, Thorfinnur
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10209 - 10221
• a: 7.454 ± 0.002 Å
• b: 8.717 ± 0.003 Å
• c: 19.132 ± 0.005 Å
• α: 90°
• β: 95.314 ± 0.006°
• γ: 90°
• Cell volume: 1237.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No