Information card for entry 2229430

Structure parameters

• Chemical name: Di-μ~2~-acetato-diacetato-bis{μ~2~-3,3',5,5'-tetramethoxy-2,2-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}tricobalt(II,III) dichloromethane disolvate
• Formula: C50 H60 Cl4 Co3 N4 O20
• Calculated formula: C50 H60 Cl4 Co3 N4 O20
• SMILES: C(Cl)Cl.c12cc(cc(c1C=[N]1CC[N]3=Cc4c(OC)cc(OC)cc4[O]4[Co]513([O]2[Co]124([O]=C(C)O5)[O]3c4cc(cc(c4C=[N]4CC[N]5=Cc6c(OC)cc(OC)cc6[O]1[Co]345(OC(C)=[O]2)OC(=O)C)OC)OC)OC(=O)C)OC)OC.C(Cl)Cl
• Title of publication: Di-μ~2~-acetato-diacetato-bis{μ~2~-3,3',5,5'-tetramethoxy-2,2-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}tricobalt(II,III) dichloromethane disolvate
• Authors of publication: Assey, Gervas E.; Butcher, Ray J.; Gultneh, Yilma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m303 - m304
• a: 13.9235 ± 0.0009 Å
• b: 13.4407 ± 0.0008 Å
• c: 16.0019 ± 0.0011 Å
• α: 90°
• β: 112.724 ± 0.008°
• γ: 90°
• Cell volume: 2762.2 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.1089
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes