Information card for entry 7025774

Structure parameters

• Formula: C58 H64 N2 O6 P2 Pd2
• Calculated formula: C58 H64 N2 O6 P2 Pd2
• SMILES: [Pd]12([O]=C(C)O[Pd]3([N](=P(c4ccccc4)(c4ccccc4)C)c4cccc5cccc3c45)[O]=C(O1)C)[N](=P(c1ccccc1)(c1ccccc1)C)c1cccc3cccc2c13.O(CC)CC.O(CC)CC
• Title of publication: Regioselective functionalization of iminophosphoranes through Pd-mediated C-H bond activation: C-C and C-X bond formation.
• Authors of publication: Aguilar, David; Navarro, Rafael; Soler, Tatiana; Urriolabeitia, Esteban P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 43
• Pages of publication: 10422 - 10431
• a: 14.3627 ± 0.0003 Å
• b: 19.7929 ± 0.0003 Å
• c: 20.9124 ± 0.0004 Å
• α: 110.605 ± 0.002°
• β: 100.03 ± 0.002°
• γ: 96.153 ± 0.002°
• Cell volume: 5387.3 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0438
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No