Information card for entry 2230902

Structure parameters

• Chemical name: 2-[(1-{[3-(dimethylazaniumyl)propyl]methylamino}ethylidene)azaniumyl]nonahydro- <i>closo</i>-decaborate dimethyl sulfoxide disolvate
• Formula: C12 H41 B10 N3 O2 S2
• Calculated formula: C12 H41 B10 N3 O2 S2
• Title of publication: 2-[(1-{[3-(dimethylazaniumyl)propyl]methylamino}ethylidene)azaniumyl]nonahydro-<i>closo</i>-decaborate dimethyl sulfoxide disolvate
• Authors of publication: Getman, Thomas D.; Luck, Rudy L.; Cienkus, Caitlin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1682 - o1683
• a: 9.503 ± 0.002 Å
• b: 15.123 ± 0.005 Å
• c: 18.032 ± 0.005 Å
• α: 90°
• β: 103.94 ± 0.02°
• γ: 90°
• Cell volume: 2515.1 ± 1.2 ų
• Cell temperature: 564 ± 2 K
• Ambient diffraction temperature: 564 ± 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: 0.0797
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes