Information card for entry 7034821

Structure parameters

• Formula: C71 H54 Cl2 Co3 N6 O7
• Calculated formula: C69 H50 Co3 N6 O7
• SMILES: [Co]123[N](=Cc4c(O1)c1c(O[Co]56Oc7c(C(=[N]6c6c([N]5=C1)cccc6)c1ccccc1)cc(cc7)C)c1c4O[Co]45Oc6c(C(=[N]5c5c([N]4=C1)cccc5)c1ccccc1)cc(cc6)C)c1ccccc1[N]3=C(c1c(O2)ccc(c1)C)c1ccccc1.O
• Title of publication: Enhancing the ferromagnetic coupling in extended phloroglucinol complexes by increasing the metal SOMO-ligand overlap: synthesis and characterization of a trinuclear Co triplesalophen complex.
• Authors of publication: Oldengott, Jan; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9732 - 9735
• a: 10.2547 ± 0.0003 Å
• b: 16.1141 ± 0.0005 Å
• c: 18.9659 ± 0.0005 Å
• α: 73.517 ± 0.001°
• β: 89.29 ± 0.002°
• γ: 74.132 ± 0.002°
• Cell volume: 2883.48 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No