Information card for entry 4063620

Structure parameters

• Formula: C44 H64 Cl2 Cr2 O2
• Calculated formula: C44 H64 Cl2 Cr2 O2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Cr]12345(Oc2c(cccc2C(C)C)C(C)C)[Cl][Cr]2345([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)(Oc2c(cccc2C(C)C)C(C)C)[Cl]1)C)C)C)C
• 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: 9.7218 ± 0.0005 Å
• b: 16.8214 ± 0.0009 Å
• c: 12.5976 ± 0.0007 Å
• α: 90°
• β: 91.86 ± 0.001°
• γ: 90°
• Cell volume: 2059.05 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No