Information card for entry 4003424

Structure parameters

• Formula: C12 H20 Au2 Cl4 Cu N4 O6
• Calculated formula: C12 H20 Au2 Cl4 Cu N4 O6
• 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: 19.8327 ± 0.0004 Å
• b: 13.9821 ± 0.0003 Å
• c: 19.8634 ± 0.0005 Å
• α: 90°
• β: 118.153 ± 0.001°
• γ: 90°
• Cell volume: 4856.51 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No