Information card for entry 2224022

Structure parameters

• Common name: piperazinediium tetrachloroaurate(III)
• Chemical name: Piperazine-1,4-diium bis[tetrachloridoaurate(III)] dihydrate
• Formula: C4 H16 Au2 Cl8 N2 O2
• Calculated formula: C4 H16 Au2 Cl8 N2 O2
• SMILES: [NH2+]1CC[NH2+]CC1.O.[Au](Cl)(Cl)(Cl)[Cl-].O.[Au](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Piperazine-1,4-diium bis[tetrachloridoaurate(III)] dihydrate
• Authors of publication: Polishchuk, Anna V.; Karaseva, Emilia T.; Pushilin, Mikhail A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1377
• a: 7.7327 ± 0.0011 Å
• b: 10.1114 ± 0.0015 Å
• c: 11.9024 ± 0.0018 Å
• α: 90°
• β: 105.565 ± 0.003°
• γ: 90°
• Cell volume: 896.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes