Information card for entry 4074600

Structure parameters

• Formula: C34 H39 Mo N3 Si2
• Calculated formula: C34 H39 Mo N3 Si2
• SMILES: [Mo]12(=Nc3ccccc3)(N([Si](C)(C)C)c3c(N1[Si](C)(C)C)cccc3)C(=CC=C2c1ccccc1)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: 25.544 ± 0.001 Å
• b: 18.742 ± 0.0008 Å
• c: 27.641 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13233 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No