Information card for entry 7235066

Structure parameters

• Formula: C73 H58 Au2 B2 Cl2 F8 O2 P4
• Calculated formula: C73 H58 Au2 B2 Cl2 F8 O2 P4
• SMILES: [Au]1[P](c2ccccc2Oc2c([P]([Au][P](c3ccccc3)(c3ccccc3)c3c(cccc3)Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Novel gold(i) diphosphine-based dimers with aurophilicity triggered multistimuli light-emitting properties
• Authors of publication: Csaba Jobbagy; Peter Baranyai; Gabor Marsi; Barbara Racz; Liang Li; Pance Naumov; Andrea Deak
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 10253 - 10264
• a: 21.8263 ± 0.0018 Å
• b: 16.0732 ± 0.0013 Å
• c: 19.7116 ± 0.0016 Å
• α: 90°
• β: 106.692 ± 0.003°
• γ: 90°
• Cell volume: 6623.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No