Information card for entry 2204735

Structure parameters

• Chemical name: di-μ-acetato-1:2κ^2^O:O';2:3κ^2^O:O'-bis{2,2'-[1,4- butanediylbis(nitrilomethylidyne)]diphenolato}- 1:2κ^6^O,N,N,O':O,O';2,3κ^6^O,O':O,N,N,O'-tricobalt(II)
• Formula: C40 H42 Co3 N4 O8
• Calculated formula: C40 H42 Co3 N4 O8
• SMILES: C1CC[N]2=Cc3c([O]4[Co]562[N](=Cc2c(cccc2)[O]6[Co]264([O]4c7c(C=[N]8CCCC[N]9=Cc%10c([O]2[Co]489[O]=C(O6)C)cccc%10)cccc7)[O]=C(O5)C)C1)cccc3
• Title of publication: A linear trinuclear Co^II^‒Co^II^‒Co^II^ complex with μ-acetate bridges: di-μ-acetato-bis[μ-<i>N,N</i>'-bis(salicylidene)-1,4-butanediaminato]tricobalt(II)
• Authors of publication: You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1900 - m1902
• a: 9.193 ± 0.009 Å
• b: 16.726 ± 0.017 Å
• c: 12.729 ± 0.013 Å
• α: 90°
• β: 95.314 ± 0.018°
• γ: 90°
• Cell volume: 1949 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1097
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes