Information card for entry 7205910

Structure parameters

• Formula: C7 H18 Cl N3
• Calculated formula: C7 H18 Cl N3
• Title of publication: Pentaalkylmethylguanidinium methylcarbonates ‒ versatile precursors for the preparation of halide-free and metal-free guanidinium-based ILs
• Authors of publication: Oelkers, Benjamin; Sundermeyer, Jörg
• Journal of publication: Green Chemistry
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 608
• a: 13.622 ± 0.003 Å
• b: 7.8211 ± 0.0011 Å
• c: 9.8987 ± 0.0017 Å
• α: 90°
• β: 104.1 ± 0.02°
• γ: 90°
• Cell volume: 1022.8 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.2253
• Weighted residual factors for all reflections included in the refinement: 0.232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No