Information card for entry 2021847

Structure parameters

• Chemical name: Di-μ-ethanolato-1κ^2^<i>O</i>:2κ^2^<i>O</i>-bis{[bis(2,6-diisopropylphenyl) hydrogen phosphato-κ<i>O</i>][bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]chlorido(ethanol-κ<i>O</i>)chromium}(<i>Cr</i>—<i>Cr</i>) benzene disolvate
• Formula: C116 H172 Cl2 Cr2 O20 P4
• Calculated formula: C116 H172 Cl2 Cr2 O20 P4
• Title of publication: Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization
• Authors of publication: Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 1
• Pages of publication: 93 - 103
• a: 12.8003 ± 0.001 Å
• b: 14.3922 ± 0.0011 Å
• c: 19.0048 ± 0.0015 Å
• α: 76.5044 ± 0.0012°
• β: 74.5363 ± 0.0012°
• γ: 66.3984 ± 0.0011°
• Cell volume: 3060.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes