Information card for entry 4003421

Structure parameters

• Formula: C16 H28 Au2 Br4 Cu N8 O4
• Calculated formula: C16 H28 Au2 Br4 Cu N8 O4
• 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: 8.3765 ± 0.0002 Å
• b: 8.4243 ± 0.0002 Å
• c: 10.8307 ± 0.0003 Å
• α: 90.153 ± 0.002°
• β: 92.457 ± 0.002°
• γ: 92.463 ± 0.001°
• Cell volume: 762.86 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0354
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No