Information card for entry 4113274

Structure parameters

• Formula: C98 H102 B2 Co N8 O
• Calculated formula: C98 H102 B2 Co N8 O
• SMILES: [Co]123=C4N(CC[N]2(CCN2C=1N(C=C2)c1c(cccc1C)C)CCN1C(N(C=C1)c1c(cccc1C)C)=[N]3c1ccc(cc1)C)C=CN4c1c(cccc1C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.CCOCC
• 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: 20.741 ± 0.002 Å
• b: 20.118 ± 0.002 Å
• c: 19.862 ± 0.002 Å
• α: 90°
• β: 92.424 ± 0.002°
• γ: 90°
• Cell volume: 8280.3 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No