Information card for entry 2233622

Structure parameters

• Chemical name: Propane-1,3-diaminium bis(tetrafluoroborate)‒18-crown-6 (1/2)
• Formula: C27 H60 B2 F8 N2 O12
• Calculated formula: C27 H60 B2 F8 N2 O12
• Title of publication: Propane-1,3-diaminium bis(tetrafluoroborate)‒18-crown-6 (1/2)
• Authors of publication: Zhao, Min-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o444
• a: 22.615 ± 0.005 Å
• b: 8.8423 ± 0.0018 Å
• c: 21.077 ± 0.004 Å
• α: 90°
• β: 113.41 ± 0.03°
• γ: 90°
• Cell volume: 3867.8 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1235
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1894
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes