Information card for entry 4333072

Structure parameters

• Formula: C52 H60 Cl2 I18 N4 Ni2 O5 S16
• Calculated formula: C40 H32 Cl2 I18.2 N4 Ni2 O2 S16
• Title of publication: A Dinuclear Ni(II) Complex with Two Types of Intramolecular Magnetic Couplings: Ni(II)−Ni(II) and Ni(II)−TTF•+
• Authors of publication: Liu, Shi-Xia; Ambrus, Christina; Dolder, Stefan; Neels, Antonia; Decurtins, Silvio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9622 - 9624
• a: 40.858 ± 0.002 Å
• b: 10.283 ± 0.0006 Å
• c: 28.2342 ± 0.0017 Å
• α: 90°
• β: 132.408 ± 0.003°
• γ: 90°
• Cell volume: 8758.7 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• 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: 0.1238
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2516
• Weighted residual factors for all reflections included in the refinement: 0.2672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No