Information card for entry 4003422

Structure parameters

• Formula: C12 H24 Au2 Br4 Cu N4 O4 S4
• Calculated formula: C12 H24 Au2 Br4 Cu N4 O4 S4
• SMILES: C(#N)[Au](Br)(C#N)Br.[O](=S(C)C)[Cu]([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[Au](C#N)(C#N)(Br)Br
• Title of publication: Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials
• Authors of publication: Ovens, Jeffrey S.; Leznoff, Daniel B.
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 1465
• a: 8.2802 ± 0.0007 Å
• b: 8.508 ± 0.0007 Å
• c: 11.2279 ± 0.0009 Å
• α: 80.18 ± 0.0019°
• β: 79.306 ± 0.002°
• γ: 86.825 ± 0.0019°
• Cell volume: 765.63 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No