Information card for entry 7706677

Structure parameters

• Common name: AD14
• Chemical name: 1a
• Formula: C32 H24 Au P
• Calculated formula: C32 H24 Au P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c2ccccc2c2ccccc2c1
• Title of publication: Gold(i)-doped films: new routes for efficient room temperature phosphorescent materials.
• Authors of publication: de Aquino, Araceli; Caparrós, Francisco J; Truong, Khai-Nghi; Rissanen, Kari; Ferrer, Montserrat; Jung, Yongsik; Choi, Hyeonho; Lima, João Carlos; Rodríguez, Laura
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 3806 - 3815
• a: 13.4768 ± 0.0005 Å
• b: 11.7786 ± 0.0004 Å
• c: 15.6067 ± 0.0007 Å
• α: 90°
• β: 103.209 ± 0.002°
• γ: 90°
• Cell volume: 2411.83 ± 0.16 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No