Information card for entry 7126926

Structure parameters

• Chemical name: Dibromocarbonyl{hydrotris(3,5-dimethylpyrazol-1-yl)borato)tungsten(III)
• Formula: C16 H22 B Br2 N6 O W
• Calculated formula: C16 H22 B Br2 N6 O W
• Title of publication: Synthesis and characterisation of fifteen-electron dihalo(carbonyl)tungsten(iii) complexes, Tp*WX₂(CO) (X = Br, I).
• Authors of publication: Thomas, Simon; Gable, Robert W.; Young, Charles G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 71
• Pages of publication: 10349 - 10352
• a: 8.123 ± 0.002 Å
• b: 14.145 ± 0.002 Å
• c: 18.726 ± 0.002 Å
• α: 90°
• β: 100.18 ± 0.02°
• γ: 90°
• Cell volume: 2117.7 ± 0.7 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No