Information card for entry 4100283

Structure parameters

• Formula: C40 H51 Cl2 Fe N3 O2
• Calculated formula: C40 H51 Cl2 Fe N3 O2
• SMILES: c1(cccc(c1/N=C1/c2cccc3C(=[N](c4c(cccc4C(C)C)C(C)C)[Fe](Cl)(Cl)([n]23)[O]1C)OC)C(C)C)C(C)C.c1(ccccc1)C
• 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: 11.5856 ± 0.0005 Å
• b: 18.9039 ± 0.001 Å
• c: 34.762 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7613.3 ± 0.6 ų
• Cell temperature: 117 ± 1 K
• Ambient diffraction temperature: 117 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No