Information card for entry 7017269

Structure parameters

• Formula: C38 H36 Br4 Cl4 N6 O4
• Calculated formula: C38 H36 Br4 Cl4 N6 O4
• SMILES: Brc1c(O)c(/C=N/CCN2CCN(CCN3CCN(CC/N=C/c4c(O)c(Br)cc(Cl)c4)[C@H]3c3cc(Cl)cc(Br)c3O)[C@@H]2c2c(O)c(Br)cc(Cl)c2)cc(Cl)c1.Brc1c(O)c(/C=N/CCN2CCN(CCN3CCN(CC/N=C/c4c(O)c(Br)cc(Cl)c4)[C@@H]3c3cc(Cl)cc(Br)c3O)[C@H]2c2c(O)c(Br)cc(Cl)c2)cc(Cl)c1
• Title of publication: Ferromagnetic heterotrinuclear Cu-Ni complexes of a compartmental chiral Schiff base.
• Authors of publication: Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; García-Santos, Isabel; Sanmartín, Jesús; Mota, Antonio J.; Pérez-Lustres, J Luis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11770 - 11780
• a: 26.362 ± 0.007 Å
• b: 12.458 ± 0.003 Å
• c: 26.554 ± 0.006 Å
• α: 90°
• β: 106.879 ± 0.005°
• γ: 90°
• Cell volume: 8345 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1462
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No