Information card for entry 4068334

Structure parameters

• Formula: C19 H31 N O2 W
• Calculated formula: C19 H31 N O2 W
• SMILES: C1[C@H]2[C@H](CO1)[C@H](C(C)(C)C)[W]13452([c]2([c]3([c]5([c]4([c]12C)C)C)C)C)N=O.C1[C@@H]2[C@@H](CO1)[C@@H](C(C)(C)C)[W]13452([c]2([c]3([c]5([c]4([c]12C)C)C)C)C)N=O
• Title of publication: Reactions of Two Cp*W(NO) Complexes with Heterocyclic Olefins
• Authors of publication: Buschhaus, Miriam S. A.; Semiao, Christopher J.; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1122
• a: 8.1877 ± 0.0001 Å
• b: 15.1554 ± 0.0003 Å
• c: 15.3309 ± 0.0003 Å
• α: 90°
• β: 99.606 ± 0.001°
• γ: 90°
• Cell volume: 1875.7 ± 0.06 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No