Information card for entry 1565571

Structure parameters

• Chemical name: [Di(carbonyl)-κ2-C,O-{(E)-3-(2,6-dimethyphenylamino)-1-methoxyprop-1-en-3-ylidene-1-olate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]
• Formula: C32.84 H43.68 B Cl1.68 N7 O4 W
• Calculated formula: C32.841 H43.682 B Cl1.682 N7 O4 W
• Title of publication: Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.
• Authors of publication: Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 123 - 132
• a: 10.2497 ± 0.0009 Å
• b: 11.3925 ± 0.0009 Å
• c: 16.0476 ± 0.0013 Å
• α: 105.219 ± 0.003°
• β: 96.074 ± 0.003°
• γ: 93.672 ± 0.003°
• Cell volume: 1789.8 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No