Information card for entry 7715307

Structure parameters

• Formula: C27 H27 Au N4 S
• Calculated formula: C27 H27 Au N4 S
• Title of publication: Access to long-lived room temperature phosphorescence through auration of 2,1,3-benzothiadiazole.
• Authors of publication: Posada Urrutia, Mauricio; Kaul, Nidhi; Kaper, Tobias; Hurrell, Dustin; Chiang, Linus; Wells, Jordann A. L.; Orthaber, Andreas; Hammarström, Leif; Pilarski, Lukasz T.; Dyrager, Christine
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5658 - 5664
• a: 10.3239 ± 0.0004 Å
• b: 15.6203 ± 0.0006 Å
• c: 16.6809 ± 0.0007 Å
• α: 105.253 ± 0.001°
• β: 100.318 ± 0.001°
• γ: 102.032 ± 0.001°
• Cell volume: 2458.97 ± 0.17 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No