Information card for entry 7032023

Structure parameters

• Formula: C29 H36.04 Co2 N13.5 O2.27
• Calculated formula: C28 H34 Co2 N13 O2
• SMILES: c12c3cc(cc1C=[N]1CC(C)(C)C[N]4=Cc5cc(cc6c5[O]5[Co]14(N=N#N)[O]2[Co]15([N](=C6)CC(C)(C)C[N]1=C3)(N=N#N)N=N#N)C)C
• Title of publication: Unprecedented dinuclear Robson type macrocyclic complexes having two +iii metal ions in two compartments and the role of the diimino moiety on the stability of metal ion oxidation states.
• Authors of publication: Mandal, Leena; Mohanta, Sasankasekhar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 15737 - 15751
• a: 12.9718 ± 0.0016 Å
• b: 20.614 ± 0.003 Å
• c: 25.402 ± 0.003 Å
• α: 90°
• β: 99.677 ± 0.002°
• γ: 90°
• Cell volume: 6695.9 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0891
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No