Information card for entry 1551054

Structure parameters

• Chemical name: [Mo(N)(TBOS)3]
• Formula: C36 Mo N O12 Si3
• Calculated formula: C36 Mo N 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: 13.8093 ± 0.0007 Å
• b: 23.8436 ± 0.0013 Å
• c: 31.356 ± 0.0016 Å
• α: 81.009 ± 0.005°
• β: 85.125 ± 0.004°
• γ: 89.85 ± 0.004°
• Cell volume: 10160 ± 0.9 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: 0.3459
• Residual factor for significantly intense reflections: 0.1506
• Weighted residual factors for significantly intense reflections: 0.357
• Weighted residual factors for all reflections included in the refinement: 0.4874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No