Information card for entry 7007700

Structure parameters

• Formula: C60 H68 Cl4 F12 N2 O6 P6 Pd Sb2
• Calculated formula: C60 H68 Cl4 F12 N2 O6 P6 Pd Sb2
• SMILES: C1[P](c2ccccc2)(c2ccccc2)[Pd]2([N](=P1(c1ccccc1)c1ccccc1)P(=O)(OCC)OCC)[O]=P(N=P(C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(OCC)OCC.C(Cl)Cl.C(Cl)Cl.F[Sb](F)(F)(F)(F)[F-].F[Sb](F)(F)([F-])(F)F
• Title of publication: Synthesis and reactivity studies of palladium(II) complexes containing the N-phosphorylated iminophosphorane-phosphine ligands Ph2PCH2P{=NP(=O)(OR)2}Ph2 (R=Et, Ph): application to the catalytic synthesis of 2,3-dimethylfuran.
• Authors of publication: Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José; Nebra, Noel; Rubio-García, Javier
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 47
• Pages of publication: 5593 - 5604
• a: 12.5698 ± 0.0004 Å
• b: 13.6979 ± 0.0004 Å
• c: 21.398 ± 0.0007 Å
• α: 82.941 ± 0.002°
• β: 86.073 ± 0.002°
• γ: 75.89 ± 0.002°
• Cell volume: 3543.22 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No