Information card for entry 7711573

Structure parameters

• Common name: TMB-boratabenzene Mo(CO)3 complex
• Formula: C45 H62 B K Mo O9 Si
• Calculated formula: C45 H62 B K Mo 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: 11.2735 ± 0.0003 Å
• b: 11.8132 ± 0.0004 Å
• c: 18.8859 ± 0.0006 Å
• α: 73.69 ± 0.001°
• β: 81.302 ± 0.001°
• γ: 78.301 ± 0.001°
• Cell volume: 2351.86 ± 0.13 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: 0.0428
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No