Information card for entry 7133130

Structure parameters

• Chemical name: fac-tricarbonyl-dibromo-(1-(1-iminoethyl)-3,5-dimethylpyrazole-N,N')-tungsten(II) chloroform solvate
• Formula: C11 H12 Br2 Cl3 N3 O3 W
• Calculated formula: C11 H12 Br2 Cl3 N3 O3 W
• Title of publication: Vinyl-pyrazole as a biomimetic acetaldehyde surrogate.
• Authors of publication: Steiner, Lorenz; Ćorović, Miljan Z; Dupé, Antoine; Mösch-Zanetti, Nadia C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• a: 9.2942 ± 0.0002 Å
• b: 10.3885 ± 0.0002 Å
• c: 11.1039 ± 0.0002 Å
• α: 63.402 ± 0.002°
• β: 75.498 ± 0.001°
• γ: 79.694 ± 0.001°
• Cell volume: 925.34 ± 0.04 ų
• Cell temperature: 99.97 ± 0.18 K
• Ambient diffraction temperature: 99.97 ± 0.18 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: 0.0267
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No