Information card for entry 7051621

Structure parameters

• Formula: C37 H44 Cl2 Co N9 O9 Zn
• Calculated formula: C36 H30 Cl Co N9 O3 Zn
• SMILES: [Zn]12(Cl)[n]3c(N4[Co]56([n]7ccccc7C4=O)([n]4ccccc4C(=O)N5c4[n]1ccc(c4)C)[n]1ccccc1C(=O)N6c1[n]2ccc(c1)C)cc(C)cc3
• 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: 11.555 ± 0.005 Å
• b: 12.482 ± 0.005 Å
• c: 16.117 ± 0.005 Å
• α: 78.089 ± 0.005°
• β: 72.04 ± 0.005°
• γ: 86.649 ± 0.005°
• Cell volume: 2163.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1527
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2244
• Weighted residual factors for all reflections included in the refinement: 0.2691
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No