Information card for entry 4100279

Structure parameters

• Formula: C68 H53 B Br Co F20 N4
• Calculated formula: C68 H53 B Br Co F20 N4
• SMILES: [Co]12([N](c3c(cccc3C(C)C)C(C)C)=C(c3[n]1c(C(C)=[N]2c1c(cccc1C(C)C)C(C)C)ccc3)C)[n]1ccccc1.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Brc1ccccc1
• Title of publication: Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation
• Authors of publication: Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 40
• Pages of publication: 13955 - 13968
• a: 20.027 ± 0.001 Å
• b: 12.241 ± 0.001 Å
• c: 25.895 ± 0.001 Å
• α: 90°
• β: 93.75 ± 0.01°
• γ: 90°
• Cell volume: 6334.6 ± 0.7 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No