Information card for entry 7101838

Structure parameters

• Formula: C9 H11 B N7 O S6 Tl
• Calculated formula: C9 H11 B N7 O S6 Tl
• Title of publication: A 'metallic tape' stabilized by an unprecedented (mu5-kappa2,kappa2,kappa2,kappa1,kappa1-) scorpionate binding mode.
• Authors of publication: Gardinier, James R; Silva, Rosalice M; Gwengo, Chengeto; Lindeman, Sergey V
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1524 - 1526
• a: 9.1394 ± 0.0002 Å
• b: 18.5785 ± 0.0005 Å
• c: 22.8438 ± 0.0007 Å
• α: 90°
• β: 91.218 ± 0.002°
• γ: 90°
• Cell volume: 3877.92 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No