Information card for entry 4069001

Structure parameters

• Formula: C40 H30 Br2 Cr N3 O Si
• Calculated formula: C40 H30 Br2 Cr N3 O Si
• SMILES: [Cr]12(Br)(Br)(Oc3c(c4c(cc3[Si](c3ccccc3)(c3ccccc3)c3ccccc3)cccc4)C=[N]1c1cccc3ccc[n]2c13)[N]#CC
• Title of publication: Chromium(III) Complexes of Sterically Crowded Bidentante {ONR} and Tridentate {ONNR} Naphthoxy-Imine Ligands: Syntheses, Structures, and Use in Ethylene Oligomerization‡
• Authors of publication: Kirillov, Evgueni; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2401
• a: 19.245 ± 0.002 Å
• b: 10.3843 ± 0.0011 Å
• c: 20.931 ± 0.002 Å
• α: 90°
• β: 116.442 ± 0.003°
• γ: 90°
• Cell volume: 3745.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2367
• Weighted residual factors for all reflections included in the refinement: 0.2666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No