Information card for entry 4325070

Structure parameters

• Chemical name: {hydrotris(3,5-dimethylpyrazol-1-yl)borato}oxobis(thiophenolato)tungsten(V)
• Formula: C58 H72 B2 N12 O3 S4 W2
• Calculated formula: C58 H72 B2 N12 O3 S4 W2
• Title of publication: Paramagnetic Oxotungsten(V) Complexes Containing the Hydrotris(3,5-dimethylpyrazol-1-yl)borate Ligand
• Authors of publication: Stephen Sproules; Aston A. Eagle; Michelle K. Taylor; Robert W. Gable; Jonathan M. White; Charles G. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4503 - 4514
• a: 10.5168 ± 0.0013 Å
• b: 27.827 ± 0.004 Å
• c: 21.446 ± 0.003 Å
• α: 90°
• β: 102.883 ± 0.003°
• γ: 90°
• Cell volume: 6118.2 ± 1.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.0868
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No