Information card for entry 7022422

Structure parameters

• Formula: C32 H41 Co2 N14 O2
• Calculated formula: C32 H41 Co2 N14 O2
• SMILES: c12c3cc(cc1C=[N]1CC(C)(C)C[N]4=Cc5cc(cc6c5[O]5[Co]14(N=N#N)(N=N#N)[O]2[Co]15([N](=C6)CC(C)(C)C[N]1=C3)N=N#N)CC)CC.CC#N
• Title of publication: Dinuclear mixed-valence Co(III)Co(II) complexes derived from a macrocyclic ligand: unique example of a Co(III)Co(II) complex showing catecholase activity.
• Authors of publication: Majumder, Samit; Mondal, Suraj; Lemoine, Pascale; Mohanta, Sasankasekhar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 4561 - 4569
• a: 32.855 ± 0.012 Å
• b: 12.339 ± 0.004 Å
• c: 19.2 ± 0.007 Å
• α: 90°
• β: 113.975 ± 0.005°
• γ: 90°
• Cell volume: 7112 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No