Information card for entry 7247245

Structure parameters

• Formula: C72 H46 Au B F24 O4 P2
• Calculated formula: C72 H46 Au B F24 O4 P2
• SMILES: c1(ccccc1)[P](c1ccc(cc1)C(=O)OC)(c1ccccc1)[Au][P](c1ccc(cc1)C(=O)OC)(c1ccccc1)c1ccccc1.c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Mechanochemical preparation of strongly emissive monosubstituted triarylphosphane gold(i) compounds activated by hydrogen bonding driven aggregations
• Authors of publication: Luciani, Lorenzo; Sargentoni, Nicola; Graiff, Claudia; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Galassi, Rossana
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 36
• Pages of publication: 25425 - 25436
• a: 24.9 ± 0.006 Å
• b: 16.943 ± 0.003 Å
• c: 17.711 ± 0.005 Å
• α: 90°
• β: 106.237 ± 0.007°
• γ: 90°
• Cell volume: 7174 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.1107
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No