Information card for entry 2243049

Structure parameters

• Chemical name: Poly[piperazin-1-ium [di-μ-bromido-rubidium]]
• Formula: C4 H11 Br2 N2 Rb
• Calculated formula: C4 H11 Br2 N2 Rb
• SMILES: [Rb+].[Br-].[Br-].[NH2+]1CCNCC1
• Title of publication: Syntheses and structures of piperazin-1-ium <i>A</i>Br~2~ (<i>A</i> = Cs or Rb): hybrid solids containing `curtain wall' layers of face- and edge-sharing <i>A</i>Br~6~ trigonal prisms
• Authors of publication: Rickaby, Kirstie A.; Slawin, Alexandra M. Z.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• Pages of publication: 1249 - 1252
• a: 4.4675 ± 0.0013 Å
• b: 23.036 ± 0.007 Å
• c: 9.021 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 928.4 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes