Information card for entry 7016542

Structure parameters

• Formula: C47 H53 Cl Cr N O2
• Calculated formula: C47 H53 Cl Cr N O2
• SMILES: [Cr]12345(Cl)([N](=Cc6c(O1)c(c1ccccc1c6)c1c(OCCCC)ccc6ccccc16)c1c(cccc1C(C)C)C(C)C)[c]1([c]5([c]4([c]3([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: 11.6666 ± 0.0016 Å
• b: 20.495 ± 0.003 Å
• c: 17.05 ± 0.002 Å
• α: 90°
• β: 92.581 ± 0.002°
• γ: 90°
• Cell volume: 4072.6 ± 0.9 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: 0.1369
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No