Information card for entry 7007879

Structure parameters

• Formula: C60 H54 B Cl4 F4 N12 Ni3 O8 S4
• Calculated formula: C60 H54 B Cl4 F4 N12 Ni3 O8 S4
• Title of publication: Control of magnetic spin states by various mixed anionic ligands in trinickel complexes: synthesis, crystal structures and physical properties.
• Authors of publication: Huang, Ming-Yi; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 48
• Pages of publication: 5683 - 5690
• a: 12.9703 ± 0.0002 Å
• b: 15.1127 ± 0.0002 Å
• c: 19.0513 ± 0.0003 Å
• α: 82.2079 ± 0.0007°
• β: 81.4266 ± 0.0008°
• γ: 64.9834 ± 0.0007°
• Cell volume: 3335.23 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.212
• Weighted residual factors for all reflections included in the refinement: 0.2374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No