Information card for entry 7004441

Structure parameters

• Formula: C20 H22 Cl3 Co N4 O4 Zn
• Calculated formula: C20 H22 Cl3 Co N4 O4 Zn
• SMILES: [Zn](Cl)(Cl)(Cl)[O]=C1O[Co]234([n]5c(C[N]2(Cc2[n]4cccc2)Cc2[n]3c(ccc2)C)cccc5)O1.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: 8.2809 ± 0.0008 Å
• b: 11.2581 ± 0.001 Å
• c: 13.7533 ± 0.0011 Å
• α: 95.303 ± 0.004°
• β: 103.086 ± 0.004°
• γ: 107.175 ± 0.005°
• Cell volume: 1175.59 ± 0.19 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No