Information card for entry 7711572

Structure parameters

• Common name: TMB-boratabenzene Cr(CO)3 complex
• Formula: C45 H62 B Cr K O9 Si
• Calculated formula: C45 H62 B Cr K O9 Si
• 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: 11.35 ± 0.001 Å
• b: 11.5688 ± 0.0011 Å
• c: 18.8139 ± 0.0018 Å
• α: 74.292 ± 0.004°
• β: 86.768 ± 0.003°
• γ: 77.513 ± 0.003°
• Cell volume: 2321.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0521
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No