Information card for entry 4089054

Structure parameters

• Formula: C74 H98 O5 Si W
• Calculated formula: C74 H98 O5 Si W
• SMILES: [W]1234(O[Si@@]5(c6c7c(cc8c6C(CC8(CC)CC)(CC)CC)C(CC7(CC)CC)(CC)CC)OC(c6c([C@@H]5c5ccc(cc5)C)ccc(c6)C)(c5ccc(cc5)C)c5ccc(cc5)C)(C#[O])(C#[O])[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.CCOCC.[W]1234(O[Si@]5(c6c7c(cc8c6C(CC8(CC)CC)(CC)CC)C(CC7(CC)CC)(CC)CC)OC(c6c([C@H]5c5ccc(cc5)C)ccc(c6)C)(c5ccc(cc5)C)c5ccc(cc5)C)(C#[O])(C#[O])[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.CCOCC
• Title of publication: A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its Dimer–Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide and Diaryl Ketones
• Authors of publication: Yoshimoto, Takashi; Hashimoto, Hisako; Hayakawa, Naoki; Matsuo, Tsukasa; Tobita, Hiromi
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 20
• Pages of publication: 3444 - 3447
• a: 11.9621 ± 0.0001 Å
• b: 13.1248 ± 0.0001 Å
• c: 22.4795 ± 0.0008 Å
• α: 86.6323 ± 0.0009°
• β: 80.8412 ± 0.0014°
• γ: 69.4944 ± 0.0012°
• Cell volume: 3263.5 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.1963
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4086765
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No