Information card for entry 4317363

Structure parameters

• Formula: C78 H158 Cl6 Cu8 N24 Ni O55
• Calculated formula: C78 H144 Cl6 Cu8 N24 Ni O55
• Title of publication: Tuning the Spin Ground State in Heterononanuclear Nickel(II)-Copper(II) Cylinders with a Triangular Metallacyclophane Core
• Authors of publication: Marie-Claire Dul; Jesús Ferrando-Soria; Emilio Pardo; Rodrigue Lescouëzec; Yves Journaux; Rafael Ruiz-García; Joan Cano; Miguel Julve; Francesc Lloret; Oscar Fabelo; Jorge Pasán; Catalina Ruiz-Pérez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11264 - 11266
• a: 25.653 ± 0.005 Å
• b: 27.605 ± 0.006 Å
• c: 36.879 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26116 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.2749
• Weighted residual factors for all reflections included in the refinement: 0.2956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7513 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No