Information card for entry 7017161

Structure parameters

• Formula: C25 H26 Cl3 Co N6 O13
• Calculated formula: C25 H26 Cl3 Co N6 O13
• SMILES: [Co]12345[n]6c(C[NH]4CCC[NH]5Cc4[n]2c(c2[n]1cccc2)ccc4)cccc6c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Factors influencing mononuclear versus multinuclear coordination in a series of potentially hexadentate acyclic N(6) ligands: the roles of flexibility and chelate ring size.
• Authors of publication: Hall, Nikita A.; Duboc, Carole; Collomb, Marie-Noëlle; Deronzier, Alain; Blackman, Allan G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12075 - 12082
• a: 11.035 ± 0.0015 Å
• b: 11.306 ± 0.0016 Å
• c: 12.958 ± 0.0016 Å
• α: 81.574 ± 0.007°
• β: 69.671 ± 0.007°
• γ: 75.012 ± 0.007°
• Cell volume: 1461.5 ± 0.3 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No