Information card for entry 1552468

Structure parameters

• Formula: C64 H108 Cu F3 N2 O3 P6 S
• Calculated formula: C64 H108 Cu F3 N2 O3 P6 S
• SMILES: C1(CCCCC1)[P]1(C2CCCCC2)P(P(C2CCCCC2)C2CCCCC2)c2[n](cccc2)[Cu]21[n]1c(P([P]2(C2CCCCC2)C2CCCCC2)P(C2CCCCC2)C2CCCCC2)cccc1.FC(F)(F)S(=O)(=O)[O-].CCCCC
• 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: 10.16325 ± 0.0001 Å
• b: 25.899 ± 0.0002 Å
• c: 26.5556 ± 0.0003 Å
• α: 90°
• β: 99.3487 ± 0.001°
• γ: 90°
• Cell volume: 6897.07 ± 0.12 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No