Information card for entry 7016732

Structure parameters

• Formula: C28 H43 Cl Cr N O
• Calculated formula: C28 H43 Cl Cr N O
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Cr]12345(Cl)[N](=Cc2c(c(cc(c2)C(C)(C)C)C(C)C)O1)C(C)(C)C)C)C)C)C
• Title of publication: Large ultra-high molecular weight polyethylene spherical particles produced by AlR(3) activated half-sandwich chromium(iii) catalysts.
• Authors of publication: Sun, Mingtai; Xu, Tieqi; Gao, Wei; Liu, Yang; Wu, Qiaolin; Mu, Ying; Ye, Ling
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 39
• Pages of publication: 10184 - 10194
• a: 11.921 ± 0.002 Å
• b: 19.965 ± 0.004 Å
• c: 13.056 ± 0.003 Å
• α: 90°
• β: 113.69 ± 0.03°
• γ: 90°
• Cell volume: 2845.5 ± 1.2 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: 0.1043
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No