Information card for entry 2018525

Structure parameters

• Chemical name: 4,4'-Bi(1<i>H</i>-pyrazol-2-ium) tetrachloridoaurate(III) chloride
• Formula: C6 H8 Au Cl5 N4
• Calculated formula: C6 H8 Au Cl5 N4
• SMILES: c1c(c[nH+][nH]1)c1c[nH][nH+]c1.[Au](Cl)(Cl)(Cl)[Cl-].[Cl-]
• Title of publication: 4,4'-Bi(1<i>H</i>-pyrazol-2-ium) tetrachloridoaurate(III) chloride: a three-dimensional cationic cooperite-like framework with multiple pyrazolium‒chloride hydrogen-bonding interactions
• Authors of publication: Domasevitch, Konstantin V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m169 - m172
• a: 12.5768 ± 0.0008 Å
• b: 16.0166 ± 0.0009 Å
• c: 7.1617 ± 0.0005 Å
• α: 90°
• β: 110.533 ± 0.01°
• γ: 90°
• Cell volume: 1350.99 ± 0.17 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes