Information card for entry 4113272

Structure parameters

• Formula: C73 H78 B Co N8 O
• Calculated formula: C73 H78 B Co N8 O
• SMILES: [Co]12([N]c3ccc(OC)cc3)=C3N(c4c(cc(C)cc4C)C)C=CN3CCN(CCN3C=2N(c2c(cc(cc2C)C)C)C=C3)CCN2C=1N(c1c(C)cc(cc1C)C)C=C2.c1ccccc1[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 18.715 ± 0.003 Å
• b: 14.361 ± 0.002 Å
• c: 22.967 ± 0.004 Å
• α: 90°
• β: 95.175 ± 0.003°
• γ: 90°
• Cell volume: 6147.6 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0894
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No