Information card for entry 2012163

Structure parameters

• Chemical name: Piperazinium(2+) bis(mandelate) bis(methanol) solvate
• Formula: C22 H34 N2 O8
• Calculated formula: C22 H34 N2 O8
• Title of publication: Hydrogen-bonded bilayers in piperazinium(2+) bis(mandelate) bis(methanol) solvate
• Authors of publication: Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 955 - 957
• a: 7.736 ± 0.0002 Å
• b: 10.2394 ± 0.0004 Å
• c: 29.7822 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2359.11 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes