Information card for entry 4301489

Structure parameters

• Formula: C58 H56 Cl12 Ni O6 P6
• Calculated formula: C58 H56 Cl12 Ni O6 P6
• SMILES: [Ni]12([P](c3ccccc3)(c3ccccc3)C(P(=O)(OC)OC)=P1(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)C(=P2(c1ccccc1)c1ccccc1)P(=O)(OC)OC.C(Cl)(Cl)Cl.ClC(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 10.281 ± 0.0005 Å
• b: 11.869 ± 0.0005 Å
• c: 14.944 ± 0.001 Å
• α: 81.162 ± 0.0014°
• β: 77.932 ± 0.0016°
• γ: 76.138 ± 0.0014°
• Cell volume: 1720.98 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1149
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No