Information card for entry 2014716

Structure parameters

• Chemical name: Tetra-n-butylammonium bromide‒water (1/38)
• Formula: C16 H112 Br N O38
• Calculated formula: C16 H38 Br N O38
• Title of publication: Tetra-<i>n</i>-butylammonium bromide‒water (1/38)
• Authors of publication: Shimada, Wataru; Shiro, Motoo; Kondo, Hidemasa; Takeya, Satoshi; Oyama, Hiroyuki; Ebinuma, Takao; Narita, Hideo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o65 - o66
• a: 21.06 ± 0.005 Å
• b: 12.643 ± 0.004 Å
• c: 12.018 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3200 ± 2 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 5
• Space group number: 51
• Hermann-Mauguin space group symbol: P m m a
• Hall space group symbol: -P 2a 2a
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes