Information card for entry 7037685

Structure parameters

• Formula: C31 H53 Mo N3 Si
• Calculated formula: C31 H53 Mo N3 Si
• SMILES: [Mo](N([SiH](C)C)C(C)(C)C)(=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)C
• Title of publication: Hydridosilylamido complexes of Ta and Mo isolobal with Berry's zirconocenes: syntheses, β-Si-H agostic interactions, catalytic hydrosilylation, and insight into mechanism.
• Authors of publication: McLeod, Nicolas A.; Kuzmina, Lyudmila G.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2554 - 2561
• a: 10.8122 ± 0.0014 Å
• b: 10.8705 ± 0.0014 Å
• c: 16.219 ± 0.002 Å
• α: 108.896 ± 0.002°
• β: 90.882 ± 0.003°
• γ: 110.844 ± 0.002°
• Cell volume: 1667 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No