Information card for entry 4325071

Structure parameters

• Chemical name: (benzene-1,2-diselenolato){hydrotris(3,5-dimethylpyrazol-1-yl)- borato}oxotungsten(V)
• Formula: C24 H33 B N6 O Se2 W
• Calculated formula: C21 H26 B N6 O Se2 W
• SMILES: [W]123([Se]c4c(cccc4)[Se]2)(=O)[n]2n([BH](n4[n]1c(C)cc4C)n1[n]3c(C)cc1C)c(cc2C)C
• 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: 13.0665 ± 0.0011 Å
• b: 14.5613 ± 0.0012 Å
• c: 14.5214 ± 0.0012 Å
• α: 90°
• β: 99.888 ± 0.001°
• γ: 90°
• Cell volume: 2721.9 ± 0.4 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: 0.0294
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No