Information card for entry 1551689

Structure parameters

• Formula: C60 H76 B2 Ni O6 S6
• Calculated formula: C60 H76 B2 Ni O6 S6
• Title of publication: Structural Features of Hexakis-DMSO Nickel(II) Complex Cations: Pseudo-S6- and Pseudo-S4-Propeller-Like Structures
• Authors of publication: SUDO, Reiji; YOSHIOKA, Daisuke; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2013
• Journal volume: 29
• Journal issue: 0
• Pages of publication: 17
• a: 12.4224 ± 0.0017 Å
• b: 12.5588 ± 0.0018 Å
• c: 12.9099 ± 0.0018 Å
• α: 61.745 ± 0.002°
• β: 89.999 ± 0.002°
• γ: 63.942 ± 0.002°
• Cell volume: 1537.8 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No