Information card for entry 2243638

Structure parameters

• Chemical name: Tetrakis(μ~2~-ethyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')\ bis(ethyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ^2^<i>O</i>,<i>O</i>')\ dilutetium <i>n</i>-heptane disolvate
• Formula: C116 H200 Lu2 O24 P6
• Calculated formula: C116 H200 Lu2 O24 P6
• SMILES: [Lu]1234([O]=P(O[Lu]5([O]=P(O1)(OCC)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(OP(=[O]2)(OCC)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)([O]=P(O3)(OCC)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)[O]=P(O5)(OCC)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(OCC)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)[O]=P(O4)(OCC)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C.CCCCCCC.CCCCCCC
• Title of publication: Crystal structure and catalytic activity of tetrakis(μ~2~-ethyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')bis(ethyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ^2^<i>O</i>,<i>O</i>')dilutetium <i>n</i>-heptane disolvate
• Authors of publication: Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Nifant'ev, Ilya E.; Churakov, Andrei V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 4
• Pages of publication: 543 - 547
• a: 14.8828 ± 0.0015 Å
• b: 19.983 ± 0.002 Å
• c: 22.392 ± 0.002 Å
• α: 80.469 ± 0.002°
• β: 87.417 ± 0.002°
• γ: 74.798 ± 0.002°
• Cell volume: 6337.7 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes