Information card for entry 1550915

Structure parameters

• Formula: C36.25 H63.5 B F4 N9.5 O4 S20 Sn10
• Calculated formula: C36.25 H62.25 B F4 N9.5 O4 S20 Sn10
• Title of publication: Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles
• Authors of publication: Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 17.727 ± 0.004 Å
• b: 35.611 ± 0.007 Å
• c: 31.733 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20032 ± 7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1453
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.645
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No