Information card for entry 7102114

Structure parameters

• Formula: C24 H19 Cl2 Co N7 O9
• Calculated formula: C24 H19 Cl2 Co N7 O9
• SMILES: [Co]123([OH2])([n]4ccccc4c4[n]1c(ccc4)c1[n]2c(nc2c1nccc2)c1[n]3cccc1)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Metal catalyzed rearrangement of a 2,2'-bipyridine Schiff-base ligand to a quaterpyridine-type complex.
• Authors of publication: Wang, Jian; Onions, Stuart; Pilkington, Melanie; Stoeckli-Evans, Helen; Halfpenny, Joan C; Wallis, John D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 35
• Pages of publication: 3628 - 3630
• a: 14.311 ± 0.002 Å
• b: 13.4071 ± 0.0016 Å
• c: 14.598 ± 0.002 Å
• α: 90°
• β: 103.464 ± 0.017°
• γ: 90°
• Cell volume: 2723.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No