Information card for entry 2243523

Structure parameters

• Chemical name: Tetrabromidotetra-μ-hydroxido-hexakis[μ-2-methyl-3-(pyrrolidin-1-yl)propan-2-olato]hexazinc(II) acetone disolvate
• Formula: C42 H88 Br4 N4 O10 Zn6
• Calculated formula: C42 H88 Br4 N4 O10 Zn6
• Title of publication: Synthesis and crystal structure of [Zn~6~Br~4~(C~9~H~18~NO)~4~(OH)~4~]·2C~3~H~6~O~2~
• Authors of publication: Scheel, Rebecca; Brieger, Lukas; Louven, Kathrin; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 998 - 1002
• a: 12.1464 ± 0.0007 Å
• b: 21.0777 ± 0.0012 Å
• c: 12.5842 ± 0.0007 Å
• α: 90°
• β: 115.277 ± 0.002°
• γ: 90°
• Cell volume: 2913.3 ± 0.3 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes