Information card for entry 1551052

Structure parameters

• Chemical name: [Mo(O)(TBOS)3]
• Formula: C36 H81 Mo O13 Si3
• Calculated formula: C36 H81 Mo O13 Si3
• Title of publication: Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands
• Authors of publication: Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 18.0787 ± 0.0005 Å
• b: 23.6043 ± 0.0008 Å
• c: 36.5549 ± 0.0012 Å
• α: 90°
• β: 103.07 ± 0.001°
• γ: 90°
• Cell volume: 15195.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No