Information card for entry 4069631

Structure parameters

• Formula: C49 H45 N2 O6 P3 Pd
• Calculated formula: C49 H45 N2 O6 P3 Pd
• SMILES: c12ccccc1O[P]13(O2)(Oc2ccccc2O1)Oc1ccccc1O3.c1(ccccc1)[P]1(c2ccccc2)CC[P](c2ccccc2)(c2ccccc2)[Pd]1(C)[N]#CC.C(#N)C
• Title of publication: HL2[P(1,2-O2C6H4)3] (L = DMSO or DMF): A Convenient Proton Source with a Weakly Basic Phosphorus(V) Anion
• Authors of publication: Siu, Paul W.; Gates, Derek P.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4491
• a: 10.03 ± 0.002 Å
• b: 17.331 ± 0.003 Å
• c: 13.073 ± 0.003 Å
• α: 90°
• β: 95.079 ± 0.007°
• γ: 90°
• Cell volume: 2263.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No