Information card for entry 7708104

Structure parameters

• Formula: C40 H34 Au Cl2 I O P2
• Calculated formula: C40 H34 Au Cl2 I O P2
• Title of publication: Mechanochemical synthesis of mononuclear gold(I) halide complexes of diphosphine ligands with tuneable luminescent properties
• Authors of publication: Deak, Andrea; Jobbágy, Csaba; Demeter, Attila; Čelko, Ladislav; Cihlář, Jaroslav; Szabó, Pál Tamás; Abranyi-Balogh, Peter; Crawford, Deborah E.; Virieux, David; Colacino, Evelina
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 9.1868 ± 0.0003 Å
• b: 21.0096 ± 0.0006 Å
• c: 18.6435 ± 0.0006 Å
• α: 90°
• β: 95.516 ± 0.001°
• γ: 90°
• Cell volume: 3581.74 ± 0.19 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No