Information card for entry 7111152

Structure parameters

• Formula: C26 H37 Mo N3 Si2
• Calculated formula: C26 H37 Mo N3 Si2
• SMILES: [Mo]123456(=Nc7ccccc7)(N([Si](C)(C)C)c7c(N1[Si](C)(C)C)cccc7)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C
• Title of publication: The synthesis of Mo(iv) arene complexes by the hydrogenation of Mo(iv) olefin complexes
• Authors of publication: Ortiz, Carlos G.; Abboud, Khalil A.; Cameron, Tom M.; Boncella, James M.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 247
• a: 9.7367 ± 0.0004 Å
• b: 14.3272 ± 0.0006 Å
• c: 19.548 ± 0.0008 Å
• α: 90°
• β: 95.08 ± 0.001°
• γ: 90°
• Cell volume: 2716.23 ± 0.19 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: 0.0342
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No