Information card for entry 7004443

Structure parameters

• Formula: C32 H54 Cl8 Co2 N14 O13 Zn3
• Calculated formula: C32 H54 Cl8 Co2 N14 O13 Zn3
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[Zn](Cl)(Cl)([Cl-])[Cl-].[Zn]([OH2])([OH2])([OH2])([OH2])([O]=C1O[Co]234(O1)[N](CCn1[n]2ccc1)(CCn1[n]3ccc1)CCn1[n]4ccc1)[O]=C1O[Co]234(O1)[N](CCn1[n]2ccc1)(CCn1[n]3ccc1)CCn1[n]4ccc1.O.O.O
• Title of publication: The donor ability of the chelated carbonate ligand: protonation and metallation of [(L)Co(O2CO)]+ complexes in aqueous solution
• Authors of publication: McClintock, Lisa F.; Cavigliasso, Germán; Stranger, Robert; Blackman, Allan G.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 37
• Pages of publication: 4984 - 4992
• a: 20.9731 ± 0.0009 Å
• b: 17.371 ± 0.005 Å
• c: 15.764 ± 0.005 Å
• α: 90°
• β: 111.376 ± 0.005°
• γ: 90°
• Cell volume: 5348 ± 2 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No