Information card for entry 1558017

Structure parameters

• Formula: Be4 H42 I2 N16
• Calculated formula: Be4 H42 I2 N16
• Title of publication: Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters
• Authors of publication: Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 5415 - 5422
• a: 14.0852 ± 0.0002 Å
• b: 10.1719 ± 0.0001 Å
• c: 18.4646 ± 0.0002 Å
• α: 90°
• β: 112.217 ± 0.001°
• γ: 90°
• Cell volume: 2449.08 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0344
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No