Information card for entry 4077549

Structure parameters

• Formula: C40 H45 N3 Si2 W
• Calculated formula: C40 H45 N3 Si2 W
• SMILES: [W]12(CC(=C(C1c1ccccc1)c1ccccc1)c1ccccc1)(=Nc1ccccc1)N([Si](C)(C)C)c1ccccc1N2[Si](C)(C)C
• Title of publication: Synthesis of d2Tungsten Arene Complexes and Their Reaction with Diphenylacetylene
• Authors of publication: Mills, R. C.; Abboud, K. A.; Boncella, J. M.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 16
• Pages of publication: 2953
• a: 18.4684 ± 0.0008 Å
• b: 20.4038 ± 0.0009 Å
• c: 20.9892 ± 0.0009 Å
• α: 90°
• β: 109.78 ± 0.001°
• γ: 90°
• Cell volume: 7442.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No