Information card for entry 7102633

Structure parameters

• Formula: C68 H53 B Br Co F20 N4
• Calculated formula: C68 H53 B Br Co F20 N4
• SMILES: [Co]12([n]3ccccc3)[N](=C(c3[n]1c(C(C)=[N]2c1c(cccc1C(C)C)C(C)C)ccc3)C)c1c(cccc1C(C)C)C(C)C.[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: Generation of bis(imino)pyridine cobalt(I) cations under metal alkyl free conditions that polymerize ethene
• Authors of publication: Gerhard Erker; Tobias Blomker; Roland Frohlich; Gerald Kehr; Nina Kleigrewe; Winfried Steffen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1188 - 1189
• 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
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No