Information card for entry 7007697

Structure parameters

• Formula: C37 H32 Cl2 N O3 P3 Pd
• Calculated formula: C37 H32 Cl2 N O3 P3 Pd
• SMILES: [Pd]1(Cl)(Cl)[N](=P(C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
• 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: 10.6582 ± 0.0002 Å
• b: 15.0716 ± 0.0004 Å
• c: 21.1627 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3399.49 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No