Information card for entry 4003423

Structure parameters

• Formula: C12 H24 Au2 Br4 Cu N4 O8
• Calculated formula: C12 H24 Au2 Br4 Cu N4 O8
• SMILES: C(#[N][Cu]([N]#C[Au](C#N)(Br)Br)([OH]CCO)([OH]CCO)([OH]CCO)[OH]CCO)[Au](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: 11.6264 ± 0.00015 Å
• b: 8.091 ± 0.0001 Å
• c: 14.8596 ± 0.00019 Å
• α: 90°
• β: 104.857 ± 0.0006°
• γ: 90°
• Cell volume: 1351.1 ± 0.03 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No