Information card for entry 7014681

Structure parameters

• Formula: C31 H40 Mo O3 Si2
• Calculated formula: C31 H40 Mo O3 Si2
• SMILES: [MoH]12345([Si](C)(C)c6cccc7c6Oc6c(C7(C)C)cccc6[Si]2(C)C)(C#[O])(C#[O])[c]2([c]1([c]5([c]4([c]32C)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: 10.0607 ± 0.0003 Å
• b: 8.3977 ± 0.0004 Å
• c: 17.5907 ± 0.0006 Å
• α: 90°
• β: 95.1177 ± 0.0007°
• γ: 90°
• Cell volume: 1480.26 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No