Information card for entry 4340308

Structure parameters

• Formula: C45 H63 Au3 N6 S3
• Calculated formula: C43.71 H60.42 Au3 N6 S3
• Title of publication: Tuning the extended structure and electronic properties of gold(i) thienyl pyrazolates.
• Authors of publication: Earl, Lyndsey D.; Nagle, Jeffrey K.; Wolf, Michael O.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7106 - 7117
• a: 34.404 ± 0.005 Å
• b: 22.375 ± 0.003 Å
• c: 13.0426 ± 0.0019 Å
• α: 90°
• β: 103.142 ± 0.002°
• γ: 90°
• Cell volume: 9777 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.1081
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No