Information card for entry 4003425

Structure parameters

• Formula: C62 H62 Au6 Cu3 N22 O6
• Calculated formula: C62 H62 Au6 Cu3 N22 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: 18.5292 ± 0.0003 Å
• b: 18.5292 ± 0.0003 Å
• c: 19.6529 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5843.47 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No