Information card for entry 7017271

Structure parameters

• Formula: C42.5 H43.5 Br4 Cl4 Cu2 N6 Ni O11.75
• Calculated formula: C42.5 H43.5 Br4 Cl4 Cu2 N6 Ni O11.75
• 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: 9.925 ± 0.0002 Å
• b: 19.102 ± 0.0005 Å
• c: 33.342 ± 0.0008 Å
• α: 90°
• β: 98.039 ± 0.001°
• γ: 90°
• Cell volume: 6259.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0847
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No