Information card for entry 7025694

Structure parameters

• Formula: C72 H126 Co2 N4 O9
• Calculated formula: C72 H122 Co2 N4 O9
• SMILES: [Co]123(Oc4c(C(C)(C)C)cc(C(C)(C)C)cc4C[N]2(CC[N]3(C)C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1)[OH2].[Co]123(Oc4c(C(C)(C)C)cc(C(C)(C)C)cc4C[N]2(CC[N]3(C)C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1)[OH]C.OC.OC.OC
• Title of publication: Synthesis and structure of mono-, bi- and trimetallic amine-bis(phenolate) cobalt(II) complexes.
• Authors of publication: Das, Uttam K.; Bobak, Julia; Fowler, Candace; Hann, Sarah E.; Petten, Chad F.; Dawe, Louise N.; Decken, Andreas; Kerton, Francesca M.; Kozak, Christopher M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 23
• Pages of publication: 5462 - 5477
• a: 12.764 ± 0.006 Å
• b: 13.592 ± 0.006 Å
• c: 22.443 ± 0.01 Å
• α: 96.005 ± 0.009°
• β: 102.272 ± 0.006°
• γ: 95.489 ± 0.011°
• Cell volume: 3756 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.2781
• Weighted residual factors for all reflections included in the refinement: 0.3009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No