Information card for entry 7025696

Structure parameters

• Formula: C103 H148 Co2 N4 O6
• Calculated formula: C82 H122 Co2 N4 O6
• SMILES: C(C)C(c1c2O[Co]345([N](Cc6cc(C(CC)(C)C)cc(C(CC)(C)C)c6O3)(Cc2cc(c1)C(CC)(C)C)Cc1[n]4cccc1)[O](C)[Co]123([N](Cc4c(c(C(CC)(C)C)cc(C(CC)(C)C)c4)O2)(Cc2[n]1cccc2)Cc1cc(C(CC)(C)C)cc(C(CC)(C)C)c1O3)[O]5C)(C)C
• 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: 10.346 ± 0.003 Å
• b: 15.283 ± 0.005 Å
• c: 15.482 ± 0.005 Å
• α: 100.085 ± 0.003°
• β: 97.893 ± 0.003°
• γ: 105.592 ± 0.004°
• Cell volume: 2277.2 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No