Information card for entry 4063619

Structure parameters

• Formula: C34 H44 Cl2 Cr2 O2
• Calculated formula: C34 H44 Cl2 Cr2 O2
• SMILES: [cH]12[cH]3[Cr]4561([cH]2[cH]4[cH]35)(Oc1c(cccc1C(C)C)C(C)C)[Cl][Cr]1234([cH]5[cH]4[cH]3[cH]2[cH]15)(Oc1c(cccc1C(C)C)C(C)C)[Cl]6
• Title of publication: Synthesis of the Binuclear Half-Metallocene Chromium(III) Aryloxides [Cp′Cr(OAr)Cl]2and Their Catalytic Properties for Ethylene Polymerization in the Presence of Alkylaluminum Cocatalyst
• Authors of publication: Sun, Mingtai; Mu, Ying; Liu, Yang; Wu, Qiaolin; Ye, Ling
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 669
• a: 9.4685 ± 0.0019 Å
• b: 11.077 ± 0.002 Å
• c: 16.269 ± 0.003 Å
• α: 90°
• β: 93.67 ± 0.03°
• γ: 90°
• Cell volume: 1702.8 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No