Information card for entry 7230108

Structure parameters

• Formula: C6 H6 Au Cl2 Cu N4
• Calculated formula: C6 H6 Au Cl2 Cu N4
• Title of publication: Probing halogen⋯halogen interactions via thermal expansion analysis
• Authors of publication: Ovens, Jeffrey S.; Leznoff, Daniel B.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 13
• Pages of publication: 1769
• a: 15.304 ± 0.003 Å
• b: 6.2273 ± 0.0012 Å
• c: 14.009 ± 0.003 Å
• α: 90°
• β: 115.285 ± 0.002°
• γ: 90°
• Cell volume: 1207.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No