Information card for entry 7014682

Structure parameters

• Formula: C35 H49 Mo N O2 Si2
• Calculated formula: C35 H49 Mo N O2 Si2
• SMILES: [Mo]123456([H][Si](c7c8Oc9c([Si]([N]1=C2C(C)(C)C)(C)C)cccc9C(C)(C)c8ccc7)(C)C)(C#[O])[c]1([c]4([c]5([c]6([c]31C)C)C)C)C
• Title of publication: Synthesis and characterisation of hydrido molybdenum and tungsten complexes having a hemilabile tridentate Si,Si,O-ligand: observation of stepwise hydrosilylation of a nitrile to form an N-silylimine on the metal centre.
• Authors of publication: Komuro, Takashi; Begum, Rockshana; Ono, Rikima; Tobita, Hiromi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2348 - 2357
• a: 11.2178 ± 0.0003 Å
• b: 14.7149 ± 0.0005 Å
• c: 20.419 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3370.54 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.277
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No