Information card for entry 4087941

Structure parameters

• Formula: C40 H34 Au2 Cl6 F6 N2 O6 P2 S2
• Calculated formula: C40 H34 Au2 Cl6 F6 N2 O6 P2 S2
• SMILES: c1ccccc1[P]1(c2ccccc2)[Au][NH2]c2c([P](c3ccccc3)(c3ccccc3)[Au][NH2]c3c1cccc3)cccc2.FC(F)(F)S(=O)(=O)[O-].C(Cl)(Cl)Cl.FC(F)(F)S(=O)(=O)[O-].C(Cl)(Cl)Cl
• Title of publication: The Chemistry of ortho-(Diarylphosphino)aryl Isocyanides
• Authors of publication: Zhang, Lujun; Yu, Wenfei; Liu, Changchun; Xu, Youzhi; Duan, Zheng; Mathey, Francois
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5697
• a: 9.922 ± 0.0003 Å
• b: 13.4139 ± 0.0003 Å
• c: 18.8864 ± 0.0004 Å
• α: 90°
• β: 94.357 ± 0.002°
• γ: 90°
• Cell volume: 2506.38 ± 0.11 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 9
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No