Information card for entry 7064053

Structure parameters

• Formula: C88 H70 Au2 Cl2 O2 P2
• Calculated formula: C88 H70 Au2 Cl2 O2 P2
• Title of publication: Structural and photophysical features of triphenylene–gold(i) phosphane complexes
• Authors of publication: Atencio, Anyie P.; Sevillano, Alba; Lázaro, Ariadna; Freixa, Zoraida; Aguilà, David; Angurell, Inmaculada; Rodríguez, Laura
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 18716 - 18724
• a: 14.9766 ± 0.0005 Å
• b: 26.9872 ± 0.0009 Å
• c: 17.1339 ± 0.0006 Å
• α: 90°
• β: 91.745 ± 0.001°
• γ: 90°
• Cell volume: 6921.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0639
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.72932 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No