Information card for entry 7046958

Structure parameters

• Formula: C23 H25 Cl4 O5 P S
• Calculated formula: C23 H25 Cl4 O5 P S
• Title of publication: ortho-Phenyl dialkylphosphonium sulfonate compounds: two rotamers in equilibrium.
• Authors of publication: Martin-Mothes, E; Puig, E.; Vendier, L.; Bijani, C.; Grellier, M.; Bontemps, S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 30
• Pages of publication: 10139 - 10146
• a: 8.5873 ± 0.0012 Å
• b: 11.2568 ± 0.0015 Å
• c: 14.919 ± 0.002 Å
• α: 109.369 ± 0.004°
• β: 102.428 ± 0.005°
• γ: 95.686 ± 0.004°
• Cell volume: 1305.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0323
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for all reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No