Information card for entry 1552464

Structure parameters

• Formula: C64 H102 Ag2 F6 N4 O6 P6 S2
• Calculated formula: C64 H102 Ag2 F6 N4 O6 P6 S2
• SMILES: C1(CCCCC1)[P]1(C2CCCCC2)P2[P](C3CCCCC3)(C3CCCCC3)[Ag]3([n]4c2cccc4)[Ag]21[n]1c(P([P]3(C3CCCCC3)C3CCCCC3)[P]2(C2CCCCC2)C2CCCCC2)cccc1.FC(F)(F)S(=O)(=O)[O-].N#CC.FC(F)(F)S(=O)(=O)[O-].N#CC
• 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: 12.1473 ± 0.0003 Å
• b: 15.0565 ± 0.0004 Å
• c: 20.4248 ± 0.0007 Å
• α: 90°
• β: 102.677 ± 0.003°
• γ: 90°
• Cell volume: 3644.55 ± 0.19 ų
• Cell temperature: 99.97 ± 0.13 K
• Ambient diffraction temperature: 99.97 ± 0.13 K
• Number of distinct elements: 8
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No