Information card for entry 4113271

Structure parameters

• Formula: C65 H68 B Co N11
• Calculated formula: C65 H68 B Co N11
• SMILES: [Co]12(=C3N(CCN(CCN4C=1N(C=C4)c1c(cccc1C)C)CCN1C=2N(C=C1)c1c(cccc1C)C)C=CN3c1c(cccc1C)C)N=N#N.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.CC#N
• Title of publication: Terminal Cobalt(III) Imido Complexes Supported by Tris(Carbene) Ligands: Imido Insertion into the Cobalt-Carbene Bond
• Authors of publication: Xile Hu; Karsten Meyer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 16322 - 16323
• a: 17.5814 ± 0.001 Å
• b: 17.6895 ± 0.001 Å
• c: 18.7229 ± 0.0011 Å
• α: 90°
• β: 100.874 ± 0.001°
• γ: 90°
• Cell volume: 5718.4 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No