Information card for entry 7110846

Structure parameters

• Formula: C38 H53 Mo N5 O2 Si2
• Calculated formula: C38 H53 Mo N5 O2 Si2
• SMILES: [Mo]12(=Nc3ccccc3)(N([Si](C)(C)C)c3c(N1[Si](C)(C)C)cccc3)N([C@H](c1ccc(OC)cc1)[C@H](N2CC)c1ccc(OC)cc1)CC
• Title of publication: Molybdenum η2-imine complex formation and the reductive coupling of imines
• Authors of publication: Cameron, Tom M.; Ortiz, Carlos G.; Abboud, Khalil A.; Boncella, James M.; Baker, R. Tom; Scott, Brian L.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 573
• a: 9.96 ± 0.0005 Å
• b: 19.0705 ± 0.0009 Å
• c: 10.2628 ± 0.0005 Å
• α: 90°
• β: 97.351 ± 0.001°
• γ: 90°
• Cell volume: 1933.32 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No