Information card for entry 7250571

Structure parameters

• Formula: C9 H15 Be2 F7 N6
• Calculated formula: C9 H15 Be2 F7 N6
• Title of publication: (C3H5N2)3[Be2F7]: the first imidazolium fluoroberyllate with a non-centrosymmetric structure based on linear tetrahedral [Be2F7]3− anions
• Authors of publication: Charkin, Dmitri O.; Ivanov, Semen A.; Kireev, Vadim E.; Gosteva, Alevtina N.; Kompanchenko, Alena A.; Banaru, Alexander M.; Stefanovich, Sergey Yu.; Tananaev, Ivan G.; Aksenov, Sergey M.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 30
• Pages of publication: 5184 - 5192
• a: 9.5908 ± 0.0004 Å
• b: 9.5908 ± 0.0004 Å
• c: 15.7681 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1256.09 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.0223
• Goodness-of-fit parameter for significantly intense reflections: 1.31
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No