Information card for entry 2021845

Structure parameters

• Chemical name: Bis(μ-butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl hydrogen phosphato-κ<i>O</i>:κ<i>O</i>')di-μ-hydroxido-bis[(butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl hydrogen phosphato-κ<i>O</i>)(butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ<i>O</i>)chromium](<i>Cr</i>—<i>Cr</i>) heptane disolvate
• Formula: C128 H228 Cr2 O26 P6
• Calculated formula: C128 H228 Cr2 O26 P6
• 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: 16.0576 ± 0.0012 Å
• b: 24.7423 ± 0.0019 Å
• c: 18.2142 ± 0.0014 Å
• α: 90°
• β: 105.443 ± 0.001°
• γ: 90°
• Cell volume: 6975.3 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes