Information card for entry 1565574

Structure parameters

• Chemical name: [Di(carbonyl)-η2-C,C?-ethinylmethylether-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]-tetrafluoroborate
• Formula: C23 H32 B2 F4 N6 O3 W
• Calculated formula: C23 H32 B2 F4 N6 O3 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: 10.3289 ± 0.0005 Å
• b: 11.4973 ± 0.0005 Å
• c: 13.0257 ± 0.0006 Å
• α: 98.414 ± 0.001°
• β: 113.051 ± 0.001°
• γ: 92.169 ± 0.001°
• Cell volume: 1400.32 ± 0.11 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: 0.0265
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No