Information card for entry 7111151

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]6[cH]5[cH]4[c]3([cH]21)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: 9.2793 ± 0.0006 Å
• b: 10.5045 ± 0.0007 Å
• c: 15.466 ± 0.001 Å
• α: 87.784 ± 0.001°
• β: 76.796 ± 0.001°
• γ: 64.068 ± 0.001°
• Cell volume: 1316.68 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No