Information card for entry 4348333

Structure parameters

• Formula: C39 H56 Co N4
• Calculated formula: C39 H56 Co N4
• SMILES: [Co]123n4c(cc(c4c4[n]1c(ccc4)c1n2c(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C[NH]3C12CC3CC(C1)CC(C3)C2)C
• Title of publication: An Unusual Cobalt Azide Adduct That Produces a Nitrene Species for Carbon-Hydrogen Insertion Chemistry.
• Authors of publication: Grant, Lauren N.; Carroll, Maria E.; Carroll, Patrick J.; Mindiola, Daniel J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 7997 - 8002
• a: 9.3711 ± 0.0005 Å
• b: 12.004 ± 0.0006 Å
• c: 15.584 ± 0.0008 Å
• α: 95.925 ± 0.003°
• β: 93.552 ± 0.003°
• γ: 99.093 ± 0.003°
• Cell volume: 1716.3 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No