Information card for entry 4301488

Structure parameters

• Formula: C74 H60 O6 P6 Pd
• Calculated formula: C74 H60 O6 P6 Pd
• SMILES: [Pd]12(P(=C(P(=O)(Oc3ccccc3)Oc3ccccc3)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)P(=C(P(=O)(Oc1ccccc1)Oc1ccccc1)[P]2(c2ccccc2)c2ccccc2)(c1ccccc1)c1ccccc1
• Title of publication: Bis(diphenylphosphino)methane-Phosphonate Ligands and Their Pd(II), Ni(II) and Cu(I) Complexes. Catalytic Oligomerization of Ethylene
• Authors of publication: Adel Hamada; Pierre Braunstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1624 - 1637
• a: 12.308 ± 0.0002 Å
• b: 21.697 ± 0.0003 Å
• c: 24.341 ± 0.0004 Å
• α: 90°
• β: 100 ± 0.0006°
• γ: 90°
• Cell volume: 6401.43 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No