Information card for entry 7016540

Structure parameters

• Formula: C66 H76 Cl2 Cr2 N2 O2
• Calculated formula: C66 H76 Cl2 Cr2 N2 O2
• SMILES: [Cr]12345(Cl)(Oc6c(cc7ccccc7c6c6c7O[Cr]89%10%11(Cl)([N](=Cc7cc7ccccc67)c6c(cccc6C(C)C)C(C)C)[c]6([c]8([c]9([c]%10([c]%116C)C)C)C)C)C=[N]1c1c(cccc1C(C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)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: 18.076 ± 0.005 Å
• b: 18.047 ± 0.005 Å
• c: 23.103 ± 0.004 Å
• α: 90°
• β: 125.714 ± 0.014°
• γ: 90°
• Cell volume: 6119 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.2369
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.2245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No