Information card for entry 4089476

Structure parameters

• Formula: C24 H27 Cl P2
• Calculated formula: C24 H27 Cl P2
• SMILES: [Cl-].P1(c2ccc3c4c(ccc(c24)[P+]1(C(C)C)C(C)C)CC3)c1ccccc1
• Title of publication: peri-Substituted Phosphino-Phosphonium Salts: Synthesis and Reactivity
• Authors of publication: Ray, Matthew J.; Slawin, Alexandra M. Z.; Bühl, Michael; Kilian, Petr
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 12
• Pages of publication: 3481
• a: 7.3239 ± 0.0015 Å
• b: 10.751 ± 0.002 Å
• c: 13.812 ± 0.002 Å
• α: 85.835 ± 0.011°
• β: 78.07 ± 0.008°
• γ: 89.634 ± 0.012°
• Cell volume: 1061.2 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.688
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No