Information card for entry 4113273

Structure parameters

• Formula: C103 H113 B2 Co N8 O2.5
• Calculated formula: C97 H98 B2 Co N8 O
• SMILES: [Co]123[N](CCN4C=2N(C=C4)c2c(cc(cc2C)C)C)(CCN2C=3N(C=C2)c2c(cc(cc2C)C)C)CCN2C(N(C=C2)c2c(cc(cc2C)C)C)=[N]1c1ccc(OC)cc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(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: 13.2685 ± 0.0013 Å
• b: 17.283 ± 0.0017 Å
• c: 20.673 ± 0.002 Å
• α: 85.323 ± 0.002°
• β: 79.331 ± 0.002°
• γ: 69.009 ± 0.002°
• Cell volume: 4349 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No