Information card for entry 4115348

Structure parameters

• Common name: LCoCl
• Chemical name: 2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)heptyl cobalt(II) chloride
• Formula: C35 H53 Cl Co N2
• Calculated formula: C35 H53 Cl Co N2
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=C(C(C)(C)C)C=C(C(C)(C)C)N([Co]1Cl)c1c(cccc1C(C)C)C(C)C
• Title of publication: Electronically Unsaturated Three-Coordinate Chloride and Methyl Complexes of Iron, Cobalt, and Nickel
• Authors of publication: Patrick L. Holland; Thomas R. Cundari; Lanyn L. Perez; Nathan A. Eckert; Rene J. Lachicotte
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 14416 - 14424
• a: 16.9464 ± 0.0009 Å
• b: 9.2668 ± 0.0005 Å
• c: 22.8151 ± 0.0012 Å
• α: 90°
• β: 107.067 ± 0.001°
• γ: 90°
• Cell volume: 3425.1 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.1041
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No