Information card for entry 7051619

Structure parameters

• Formula: C36 H30 Cl2 Co2 N9 O3
• Calculated formula: C36 H30 Cl2 Co2 N9 O3
• 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: 11.573 ± 0.005 Å
• b: 11.596 ± 0.005 Å
• c: 16.367 ± 0.005 Å
• α: 76.96 ± 0.005°
• β: 81.58 ± 0.005°
• γ: 66.012 ± 0.005°
• Cell volume: 1951.3 ± 1.3 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: 0.1215
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.2465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No