Information card for entry 4067618

Structure parameters

• Formula: C41 H45 Cl2 Fe N3 O
• Calculated formula: C41 H43 Cl2 Fe N3 O
• SMILES: [Fe]12(Cl)(Cl)[n]3c(C(=[N]2c2c(C)cc(C)cc2[C@H](C)c2ccccc2)C)cccc3C(=[N]1c1c(C)cc(C)cc1[C@@H](C)c1ccccc1)C.O
• Title of publication: An Unsymmetrical Iron(II) Bis(imino)pyridyl Catalyst for Ethylene Polymerization: Effect of a Bulky Ortho Substituent on the Thermostability and Molecular Weight of Polyethylene
• Authors of publication: Guo, Li-hua; Gao, Hai-yang; Zhang, Ling; Zhu, Fang-ming; Wu, Qing
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 2118
• a: 34.408 ± 0.006 Å
• b: 12.714 ± 0.002 Å
• c: 19.46 ± 0.003 Å
• α: 90°
• β: 120.484 ± 0.003°
• γ: 90°
• Cell volume: 7336 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1341
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No