Information card for entry 7715306

Structure parameters

• Formula: C24 H18 Au N2 P S
• Calculated formula: C24 H18 Au N2 P S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1cccc2nsnc12
• 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: 8.496 ± 0.0004 Å
• b: 11.3452 ± 0.0006 Å
• c: 21.66 ± 0.0011 Å
• α: 90°
• β: 97.82 ± 0.001°
• γ: 90°
• Cell volume: 2068.37 ± 0.18 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• 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: 0.016
• Residual factor for significantly intense reflections: 0.0137
• Weighted residual factors for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections included in the refinement: 0.0323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No