Information card for entry 7715308

Structure parameters

• Formula: C33 H39 Au N4 S
• Calculated formula: C33 H39 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: 11.819 ± 0.002 Å
• b: 14.047 ± 0.003 Å
• c: 18.837 ± 0.003 Å
• α: 90°
• β: 96.458 ± 0.004°
• γ: 90°
• Cell volume: 3107.5 ± 1 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No