Information card for entry 4074599

Structure parameters

• Formula: C28 H37 Mo N3 Si2
• Calculated formula: C28 H37 Mo N3 Si2
• SMILES: [Mo]12(=Nc3ccccc3)(N([Si](C)(C)C)c3c(N1[Si](C)(C)C)cccc3)C=C(CC2)c1ccccc1
• Title of publication: Synthesis and Reactivity of Molybdenum Imido Diamido Metallacyclopentenes and Metallacyclopentadienes and the Mechanism of Ethylene Exchange with Metallacyclopentane Complexes
• Authors of publication: Ison, Elon A.; Abboud, Khalil A.; Boncella, James M.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1557
• a: 11.2646 ± 0.0005 Å
• b: 9.7968 ± 0.0004 Å
• c: 25.675 ± 0.001 Å
• α: 90°
• β: 92.659 ± 0.001°
• γ: 90°
• Cell volume: 2830.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No