Information card for entry 7016685

Structure parameters

• Formula: C22 H25 Cl2 Co N5 O10.5
• Calculated formula: C22 H25 Cl2 Co N5 O10.5
• SMILES: [Co]12345OC(=O)C[N]2(CC[N]1(Cc1[n]3cccc1)Cc1[n]5cccc1)Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Switching on oxygen activation by cobalt complexes of pentadentate ligands.
• Authors of publication: Vad, Mads S.; Nielsen, Anne; Lennartson, Anders; Bond, Andrew D.; McGrady, John E.; McKenzie, Christine J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10698 - 10707
• a: 17.515 ± 0.0015 Å
• b: 22.3432 ± 0.0018 Å
• c: 13.4944 ± 0.0008 Å
• α: 90°
• β: 101.22 ± 0.003°
• γ: 90°
• Cell volume: 5180 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1408
• 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