Information card for entry 7017270

Structure parameters

• Formula: C44.5 H48 Br4 Cl4 Cu N6 Ni2 O10.75
• Calculated formula: C44.5 H48 Br4 Cl4 Cu N6 Ni2 O10.75
• 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: 13.0857 ± 0.0009 Å
• b: 13.6167 ± 0.001 Å
• c: 17.0194 ± 0.0012 Å
• α: 72.997 ± 0.004°
• β: 88.993 ± 0.004°
• γ: 67.063 ± 0.004°
• Cell volume: 2654.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No