Information card for entry 7114680

Structure parameters

• Formula: C28 H37 Mo N5 Si2
• Calculated formula: C28 H37 Mo N5 Si2
• SMILES: [Mo]1(=Nc2ccccc2)(N(c2c(N1[Si](C)(C)C)cccc2)[Si](C)(C)C)([n]1ccccc1)[n]1ccccc1
• Title of publication: Unusual molybdenum mediated C‒N bond activation
• Authors of publication: Cameron, Thomas M.; Abboud, Khalil A.; Boncella, James M.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 1224
• a: 15.5947 ± 0.0008 Å
• b: 10.317 ± 0.0005 Å
• c: 18.4572 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2969.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No