Information card for entry 4068336

Structure parameters

• Formula: C20 H34 N2 O W
• Calculated formula: C20 H34 N2 O W
• SMILES: C1C=CCCN1[W]1234(CC(C)(C)C)([c]5([c]1([c]2([c]3([c]45C)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: 8.2309 ± 0.001 Å
• b: 9.3822 ± 0.0012 Å
• c: 14.3092 ± 0.0019 Å
• α: 91.36 ± 0.007°
• β: 96.015 ± 0.006°
• γ: 115.192 ± 0.006°
• Cell volume: 991.5 ± 0.2 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: 0.0267
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No