Information card for entry 7017953

Structure parameters

• Formula: C6 H2 Au3 Br2 K3 N6 O
• Calculated formula: C6 Au3 Br2 K3 N6 O
• SMILES: [Au](Br)(Br)(C#N)C#N.[Au](C#N)C#N.[Au](C#N)C#N.[K+].[K+].[K+].O
• Title of publication: Structural organization and dimensionality at the hands of weak intermolecular Au···Au, Au···X and X···X (X = Cl, Br, I) interactions.
• Authors of publication: Ovens, Jeffrey S.; Truong, Kimberley N.; Leznoff, Daniel B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 4
• Pages of publication: 1345 - 1351
• a: 8.1153 ± 0.0016 Å
• b: 10.1791 ± 0.0016 Å
• c: 12.875 ± 0.003 Å
• α: 70.416 ± 0.002°
• β: 88.834 ± 0.002°
• γ: 70.991 ± 0.001°
• Cell volume: 942.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No