Information card for entry 7025692

Structure parameters

• Formula: C37.5 H68 Co N2 O5.5
• Calculated formula: C37.5 H68 Co N2 O5.5
• 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)[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: 14.902 ± 0.002 Å
• b: 15.3466 ± 0.0015 Å
• c: 19.85 ± 0.003 Å
• α: 74.869 ± 0.01°
• β: 89.538 ± 0.013°
• γ: 67.524 ± 0.009°
• Cell volume: 4027.9 ± 1 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: 0.081
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No