Information card for entry 7014683

Structure parameters

• Formula: C37 H45 N O2 Si2 W
• Calculated formula: C37 H45 N O2 Si2 W
• SMILES: [W]123456([Si](c7c8Oc9c([Si](N1C2c1ccccc1)(C)C)cccc9C(C)(C)c8ccc7)(C)C)(C#[O])[c]1([c]3([c]4([c]5([c]61C)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: 21.5695 ± 0.0007 Å
• b: 8.7738 ± 0.0002 Å
• c: 21.5198 ± 0.0007 Å
• α: 90°
• β: 124.296 ± 0.0012°
• γ: 90°
• Cell volume: 3364.49 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No