Information card for entry 1552469

Structure parameters

• Formula: C35.5 H21 Cl N5 P5 S5
• Calculated formula: C35.5 H21 Cl N5 P5 S5
• SMILES: c1(nc2c(s1)cccc2)P1P(c2nc3c(s2)cccc3)P(P(c2nc3c(s2)cccc3)P1c1nc2c(s1)cccc2)c1nc2c(s1)cccc2.ClCCl
• 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: 10.2485 ± 0.0003 Å
• b: 12.3713 ± 0.0003 Å
• c: 15.6969 ± 0.0004 Å
• α: 112.462 ± 0.002°
• β: 90.355 ± 0.002°
• γ: 99.439 ± 0.002°
• Cell volume: 1809.1 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No