Information card for entry 7016541

Structure parameters

• Formula: C41 H41 Cl Cr N O2
• Calculated formula: C41 H41 Cl Cr N O2
• SMILES: [Cr]12345(Oc6c(C=[N]1c1ccccc1)cc1c(cccc1)c6c1c6ccccc6ccc1OCCCC)(Cl)[c]1([c]5([c]3([c]4([c]21C)C)C)C)C
• Title of publication: Binuclear half-metallocene chromium(iii) complexes mediated ethylene polymerization with alkylaluminium as cocatalyst.
• Authors of publication: Xu, Tieqi; Pan, Yu; Lu, Xiao-Bing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 34
• Pages of publication: 8643 - 8650
• a: 8.6023 ± 0.0007 Å
• b: 12.9253 ± 0.0011 Å
• c: 16.4342 ± 0.0014 Å
• α: 69.844 ± 0.001°
• β: 83.356 ± 0.002°
• γ: 79.47 ± 0.002°
• Cell volume: 1683.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No