Information card for entry 1552476

Structure parameters

• Formula: C60 H96 Au2 F6 N2 O6 P6 S2
• Calculated formula: C60 H96 Au2 F6 N2 O6 P6 S2
• SMILES: C1(CCCCC1)[P]1(C2CCCCC2)P([P](C2CCCCC2)(C2CCCCC2)[Au]2[Au]1[P](P([P]2(C1CCCCC1)C1CCCCC1)c1ncccc1)(C1CCCCC1)C1CCCCC1)c1ncccc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Controlled scrambling reactions to polyphosphanes via bond metathesis reactions
• Authors of publication: Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 21.8614 ± 0.0006 Å
• b: 16.4069 ± 0.0004 Å
• c: 26.8718 ± 0.0006 Å
• α: 90°
• β: 115.147 ± 0.003°
• γ: 90°
• Cell volume: 8724.8 ± 0.4 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No