Information card for entry 7007102

Structure parameters

• Formula: C46 H100 Cr2 N18 Ni O11
• Calculated formula: C46 H66 Cr2 N18 Ni O11
• Title of publication: Magnetic anisotropy of two trinuclear and tetranuclear Cr(III)Ni(II) cyanide-bridged complexes with spin ground states S = 4 and 5.
• Authors of publication: Rebilly, Jean-Noël; Catala, Laure; Charron, Gaëlle; Rogez, Guillaume; Rivière, Eric; Guillot, Régis; Thuéry, Pierre; Barra, Anne-Laure; Mallah, Talal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 23
• Pages of publication: 2818 - 2828
• a: 17.623 ± 0.004 Å
• b: 9.689 ± 0.0019 Å
• c: 37.496 ± 0.008 Å
• α: 90°
• β: 100.46 ± 0.03°
• γ: 90°
• Cell volume: 6296 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1503
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.2455
• Weighted residual factors for all reflections included in the refinement: 0.2859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No