Information card for entry 7051620

Structure parameters

• Formula: C37 H34 Br2 Co2 N9 O4
• Calculated formula: C37 H34 Br2 Co2 N9 O4
• SMILES: [Co]12345[n]6ccccc6C(=O)N1c1[n]([Co](Br)([n]6c(N3C(=O)c3[n]2cccc3)cc(C)cc6)[n]2c(N5C(=O)c3[n]4cccc3)cc(C)cc2)ccc(c1)C.[Br-].OC
• Title of publication: Six-coordinate CoIII and four-coordinate MII (M = Co, Zn) mixed-valence dimers supported by a deprotonated pyridine amide ligand: magnetism of a CoIIICoII complex and C‒H⋯O/Cl/Br interactions
• Authors of publication: Jacob, Wilson; Mishra, Haritosh; Pandey, Sharmila; Lloret, Francesc; Mukherjee, Rabindranath
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 893
• a: 12.34 ± 0.005 Å
• b: 16.429 ± 0.005 Å
• c: 20.045 ± 0.005 Å
• α: 93.162 ± 0.005°
• β: 94.169 ± 0.005°
• γ: 93.594 ± 0.005°
• Cell volume: 4038 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1497
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2206
• Weighted residual factors for all reflections included in the refinement: 0.2832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No