Information card for entry 1551053

Structure parameters

• Chemical name: [Mo(TBOS)3]
• Formula: C36 H81 Mo O12 Si3
• Calculated formula: C36 H81 Mo O12 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: 14.2373 ± 0.0007 Å
• b: 17.8493 ± 0.0007 Å
• c: 19.9245 ± 0.0009 Å
• α: 100.521 ± 0.004°
• β: 95.866 ± 0.004°
• γ: 93.602 ± 0.003°
• Cell volume: 4934.9 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1606
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No