Information card for entry 2012963

Structure parameters

• Formula: C3 H12 Be F4 N2
• Calculated formula: C3 H12 Be F4 N2
• SMILES: [Be](F)(F)([F-])([F-]).[NH3+]CC([NH3+])C
• Title of publication: Propane-1,2-diammonium tetrafluoroberyllate
• Authors of publication: Gerrard, Lee A.; Weller, Mark T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m504 - m505
• a: 5.5355 ± 0.0011 Å
• b: 13.56 ± 0.003 Å
• c: 9.6048 ± 0.0019 Å
• α: 90°
• β: 106.73 ± 0.03°
• γ: 90°
• Cell volume: 690.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes