Information card for entry 2238940

Structure parameters

• Chemical name: <i>N</i>^1^-(Thiophen-2-ylmethyl)-<i>N</i>^3^,<i>N</i>^3^-bis[3-(thiophen-2-ylmethylammonio)propyl]propane-1,3-diammonium hexafluoridosilicate methanol trisolvate
• Formula: C27 H52 F12 N4 O3 S3 Si2
• Calculated formula: C27 H52 F12 N4 O3 S3 Si2
• Title of publication: <i>N</i>^1^-(Thiophen-2-ylmethyl)-<i>N</i>^3^,<i>N</i>^3^-bis[3-(thiophen-2-ylmethylammonio)propyl]propane-1,3-diammonium hexafluoridosilicate methanol trisolvate
• Authors of publication: Haque, Syed A.; Cooper, Dominique N.; Powell, Douglas R.; Venkatraman, Ramaiyer; Hossain, Md. Alamgir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1739 - o1740
• a: 8.4854 ± 0.0004 Å
• b: 12.5107 ± 0.0006 Å
• c: 18.9003 ± 0.001 Å
• α: 89.024 ± 0.002°
• β: 87.75 ± 0.002°
• γ: 72.206 ± 0.003°
• Cell volume: 1908.94 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No