Information card for entry 7203782

Structure parameters

• Formula: C10 H10 Au Br4 Cl I2 N2
• Calculated formula: C10 H10 Au Br3.654 Cl1.346 I2 N2
• Title of publication: Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions
• Authors of publication: Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 57
• Pages of publication: 350
• a: 16.113 ± 0.003 Å
• b: 4.2049 ± 0.0009 Å
• c: 28.34 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1920.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No