Information card for entry 7025699

Structure parameters

• Formula: C88 H154 Co3 N4 O12
• Calculated formula: C88 H154 Co3 N4 O12
• SMILES: c12c(C(CC)(C)C)cc(C(CC)(C)C)cc2C[N]23CC[N](CC)([Co]3(O1)(Oc1c(C2)cc(C(CC)(C)C)cc1C(CC)(C)C)[O]=C(O[Co]([OH]C)([OH]C)(OC(=[O][Co]123[N](Cc4c(c(C(CC)(C)C)cc(C(CC)(C)C)c4)O3)(CC[N]1(CC)CC)Cc1cc(C(CC)(C)C)cc(C(CC)(C)C)c1O2)C)([OH]C)[OH]C)C)CC
• 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: 12.862 ± 0.002 Å
• b: 22.109 ± 0.003 Å
• c: 18.557 ± 0.003 Å
• α: 90°
• β: 119.714 ± 0.003°
• γ: 90°
• Cell volume: 4583.1 ± 1.2 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No