Information card for entry 7114984

Structure parameters

• Common name: complex1c
• Formula: C60 H56 Au2 Cl4 F6 O4 P4
• Calculated formula: C60 H56 Au2 Cl4 F6 O4 P4
• SMILES: [Au]1[P](CCC[P]([Au][P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Polymers and rings in gold(I) diphosphine complexes: linking gold rings through aurophilic interactions
• Authors of publication: Brandys, Marie-Claude; Puddephatt, Richard J.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 1280
• a: 22.7641 ± 0.0008 Å
• b: 13.3249 ± 0.0003 Å
• c: 19.5994 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5945.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1602
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No