Information card for entry 7037684

Structure parameters

• Formula: C30 H50 Cl Mo N3 Si
• Calculated formula: C30 H50 Cl Mo N3 Si
• SMILES: [Mo](Cl)(=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)N([SiH](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: 10.1926 ± 0.0008 Å
• b: 10.7193 ± 0.0009 Å
• c: 16.7763 ± 0.0017 Å
• α: 71.491 ± 0.003°
• β: 86.247 ± 0.005°
• γ: 69.622 ± 0.003°
• Cell volume: 1627.2 ± 0.3 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No