Information card for entry 4066089

Structure parameters

• Formula: C20 H37 Mo N O2
• Calculated formula: C20 H37 Mo N O2
• SMILES: C(C(C)(C)C)N1O[Mo]23451(CC(C)(C)C)([c]1([c]5([c]4([C]3([c]21C)C)C)C)C)=O
• Title of publication: Hydroperoxide-Initiated Intramolecular Insertions of NO into Metal−Carbon Bonds†
• Authors of publication: Graham, Peter M.; Buschhaus, Miriam S. A.; Baillie, Rhett A.; Semproni, Scott P.; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5068
• a: 8.6671 ± 0.0008 Å
• b: 10.2287 ± 0.0009 Å
• c: 13.5257 ± 0.0012 Å
• α: 103.417 ± 0.004°
• β: 105.869 ± 0.004°
• γ: 100.361 ± 0.004°
• Cell volume: 1083.32 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No