Information card for entry 7711577

Structure parameters

• Common name: TMB-boratabenzene W(CO)3 complex
• Formula: C66 H100 B2 K2 O18 Si2 W2
• Calculated formula: C66 H100 B2 K2 O18 Si2 W2
• Title of publication: Assessing the Donor Ability of Boratabenzene and 9-Borataphenanthrene Anions through Metal Complexes with Carbonyl Ligands
• Authors of publication: Rojales, Katherine; Masilamani, Tamizmani; Bartholome, Tyler A.; Martin, Caleb Daniel
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 33.118 ± 0.001 Å
• b: 11.7793 ± 0.0003 Å
• c: 20.0868 ± 0.0006 Å
• α: 90°
• β: 108.163 ± 0.001°
• γ: 90°
• Cell volume: 7445.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No