Information card for entry 4504843

Structure parameters

• Formula: C9 H17 Br N2
• Calculated formula: C9 H17 Br N2
• Title of publication: Cocrystal of an Ionic Liquid with Organic Molecules as a Mimic of Ionic Liquid Solution
• Authors of publication: Golovanov, Denis G.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Vygodskii, Yakov S.; Lozinskaya, Elena I.; Shaplov, Alexander S.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 337
• a: 8.738 ± 0.004 Å
• b: 9.057 ± 0.003 Å
• c: 14.888 ± 0.005 Å
• α: 90°
• β: 95.454 ± 0.012°
• γ: 90°
• Cell volume: 1172.9 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No