Information card for entry 2006693

Structure parameters

• Chemical name: Bis-(4-benzylpiperidinium) Tetrachloromercurate
• Formula: C24 H36 Cl4 Hg N2
• Calculated formula: C24 H36 Cl4 Hg N2
• SMILES: [Hg](Cl)(Cl)([Cl-])[Cl-].[NH2+]1CCC(CC1)Cc1ccccc1.[NH2+]1CCC(CC1)Cc1ccccc1
• Title of publication: Bis(4-benzylpiperidinium) Tetrachloromercurate
• Authors of publication: Spengler, Roland; Zouari, Fatma; Ben Salah, Abdelhamid; Burzlaff, Hans
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1566 - 1568
• a: 13.603 ± 0.001 Å
• b: 8.383 ± 0.001 Å
• c: 12.198 ± 0.001 Å
• α: 90°
• β: 97.66 ± 0.01°
• γ: 90°
• Cell volume: 1378.6 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections: 1.42
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes