Information card for entry 7040095

Structure parameters

• Formula: C33 H34 Cl2 Co N5 O11
• Calculated formula: C33 H34 Cl2 Co N5 O11
• SMILES: [O-]Cl(=O)(=O)=O.O(CCC[N]1[Co]23([n]4c(c5[n]2cccc5)cccc4)(Oc2c(OC)cccc2C=1)[n]1ccccc1c1[n]3cccc1)CC.[O-]Cl(=O)(=O)=O
• Title of publication: Competitive coordination aggregation for V-shaped [Co3] and disc-like [Co7] complexes: synthesis, magnetic properties and catechol oxidase activity.
• Authors of publication: Singha Mahapatra, Tufan; Basak, Dipmalya; Chand, Santanu; Lengyel, Jeff; Shatruk, Michael; Bertolasi, Valerio; Ray, Debashis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13576 - 13589
• a: 33.879 ± 0.006 Å
• b: 8.1426 ± 0.0014 Å
• c: 12.147 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3350.9 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No