Information card for entry 7235064

Structure parameters

• Formula: C73 H58 Au2 Cl2 N2 O8 P4
• Calculated formula: C73 H58 Au2 Cl2 N2 O8 P4
• SMILES: [Au]1[P](c2ccccc2Oc2c([P]([Au][P](c3c(cccc3)Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].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: 21.848 ± 0.002 Å
• b: 15.4782 ± 0.0016 Å
• c: 19.843 ± 0.002 Å
• α: 90°
• β: 106.46 ± 0.002°
• γ: 90°
• Cell volume: 6435.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No