Information card for entry 7030217

Structure parameters

• Formula: C33 H36 N O3 P2 Si2 W
• Calculated formula: C33 H36 N O3 P2 Si2 W
• SMILES: [W]12([P](C[Si](N2[Si](C[P]1(c1ccccc1)c1ccccc1)(C)C)(C)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and oxidation of d6 tungsten pincer complexes: a complete series of tungsten(II) hydridocarbonyl and halocarbonyl pincer complexes.
• Authors of publication: Wingard, Leah A.; White, Peter S.; Templeton, Joseph L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 37
• Pages of publication: 11438 - 11448
• a: 12.8236 ± 0.0008 Å
• b: 18.5277 ± 0.0013 Å
• c: 14.1186 ± 0.0008 Å
• α: 90°
• β: 97.327 ± 0.005°
• γ: 90°
• Cell volume: 3327.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0693
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No