Information card for entry 4071072

Structure parameters

• Formula: C18 H31 N O W
• Calculated formula: C18 H31 N O W
• SMILES: [CH2]1=[CH]2C[W]345612(CC(C)(C)C)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)N=O
• Title of publication: Different Modes of Reactivity of Cp*W(NO)(alkyl)(η3-allyl) Complexes with Cyclic Amines: The Influence of the Allyl Ligands
• Authors of publication: Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Fujita-Takayama, Chikako; Patrick, Brian O.; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1634
• a: 10.651 ± 0.0006 Å
• b: 11.5052 ± 0.0006 Å
• c: 15.1007 ± 0.0008 Å
• α: 90°
• β: 96.778 ± 0.003°
• γ: 90°
• Cell volume: 1837.54 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No