Information card for entry 4064352

Structure parameters

• Formula: C37 H47 Cl2 Co N3
• Calculated formula: C37 H47 Cl2 Co N3
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1[Co]2([n]3c4C=1CCCc4cc1c3C(CCC1)=[N]2c1c(cccc1C(C)C)C(C)C)(Cl)Cl
• Title of publication: Iron and Cobalt Complexes of 2,3,7,8-Tetrahydroacridine-4,5(1H,6H)-diimine Sterically Modulated by Substituted Aryl Rings for the Selective Oligomerization to Polymerization of Ethylene
• Authors of publication: Appukuttan, Vinu Krishnan; Liu, Yinshan; Son, Bong Chul; Ha, Chang-Sik; Suh, Hongsuk; Kim, Il
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2285
• a: 15.445 ± 0.003 Å
• b: 48.049 ± 0.01 Å
• c: 9.0603 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6724 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No