Information card for entry 7016684

Structure parameters

• Formula: C17 H20 Cl Co N4 O8
• Calculated formula: C17 H20 Cl Co N4 O8
• SMILES: [Co]1234(OC(=O)C[N]1(Cc1[n]3cccc1)CC[NH]2C)OC(=O)c1[n]4cccc1.Cl(=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: 10.1794 ± 0.0003 Å
• b: 17.2327 ± 0.0006 Å
• c: 11.5761 ± 0.0004 Å
• α: 90°
• β: 105.851 ± 0.001°
• γ: 90°
• Cell volume: 1953.45 ± 0.11 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No