Information card for entry 7040094

Structure parameters

• Formula: C84 H126 Cl2 Co7 N6 O24
• Calculated formula: C84 H126 Cl2 Co7 N6 O24
• 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: 21.0511 ± 0.0004 Å
• b: 21.0511 ± 0.0004 Å
• c: 21.0511 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9328.8 ± 0.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No