Information card for entry 7054459

Structure parameters

• Formula: C22 H27 Co N2 O9
• Calculated formula: C22 H27 Co N2 O9
• SMILES: c1(cccc2c1O[Co]134([N](=C2)CC[OH]1)[N](=Cc1cccc(c1O3)OC)CC[OH]4)OC.C(=O)(C)[O-].O
• Title of publication: A mononuclear cobalt(iii) complex and its catecholase activity
• Authors of publication: Mitra, Merry; Raghavaiah, Pallepogu; Ghosh, Rajarshi
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 200
• a: 15.959 ± 0.005 Å
• b: 11.194 ± 0.003 Å
• c: 13.281 ± 0.004 Å
• α: 90°
• β: 100.678 ± 0.005°
• γ: 90°
• Cell volume: 2331.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No