Information card for entry 7115203

Structure parameters

• Chemical name: 3-S6-Hydroxy cage
• Formula: C19 H36 O S6
• Calculated formula: C19 H36 O S6
• Title of publication: Unexpected polymeric string formation between Ag(I) and a homoleptic thioether cage: synthesis and crystal structure of [R,R′-S6tricosane] and {[Ag(R,R′-S6hexacosane)]TsO}\ιnfty
• Authors of publication: Alberto, Roger; Angst, Daniela; Schubiger, August P.; Abram, Ulrich; Ortner, Kirstin; Kaden, Thomas A.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 1513
• a: 18.186 ± 0.004 Å
• b: 26.587 ± 0.004 Å
• c: 10.255 ± 0.002 Å
• α: 90°
• β: 101.16 ± 0.01°
• γ: 90°
• Cell volume: 4864.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections: 0.1634
• Weighted residual factors for significantly intense reflections: 0.1381
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No