Information card for entry 2003391

Structure parameters

• Formula: C31 H19 F24 N S Sn
• Calculated formula: C31 H19 F24 N S Sn
• Title of publication: {<i>N</i>-(1-Adamantyl)[(pentafluoro-2-propenyl)thio]-amino}(fluoro)bis[2,4,6-tris(trifluoromethyl)phenyl]tin at 153K
• Authors of publication: Freitag, S.; Herbst-Irmer, R.; Ahlemann, J. T.; Roesky, H. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 631 - 633
• a: 14.168 ± 0.002 Å
• b: 13.323 ± 0.002 Å
• c: 19.47 ± 0.003 Å
• α: 90°
• β: 106.72 ± 0.01°
• γ: 90°
• Cell volume: 3519.8 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.063
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.0895
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes