Information card for entry 7708103

Structure parameters

• Formula: C39.88 H33.75 Au Cl1.75 I O P2
• Calculated formula: C39.874 H33.748 Au Cl1.748 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: 8.6584 ± 0.0002 Å
• b: 18.3753 ± 0.0004 Å
• c: 12.2711 ± 0.0003 Å
• α: 90°
• β: 109.481 ± 0.002°
• γ: 90°
• Cell volume: 1840.57 ± 0.08 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No