Information card for entry 7025132

Structure parameters

• Formula: C26 H18 Cl6 Co N4 O4
• Calculated formula: C26 H18 Cl6 Co N4 O4
• SMILES: [Co]123(OC(=O)c4[n]2cccc4)(OC(=O)c2[n]3cccc2)[n]2cccc3ccc4ccc[n]1c4c23.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Synthesis, characterization and pulse radiolysis of cobalt(II) complexes of 2-picolinate and polypyridyl ligands.
• Authors of publication: Kawade, Vitthal A.; Kumbhar, Avinash S.; Naik, Devidas B.; Butcher, Ray J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 24
• Pages of publication: 5664 - 5675
• a: 10.1462 ± 0.0005 Å
• b: 27.7307 ± 0.0013 Å
• c: 10.8821 ± 0.0004 Å
• α: 90°
• β: 103.885 ± 0.004°
• γ: 90°
• Cell volume: 2972.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1397
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No