Information card for entry 4089053

Structure parameters

• Formula: C53 H70 O3 Si W
• Calculated formula: C53 H70 O3 Si W
• SMILES: [W]12345(=[Si](OC1(c1ccccc1)c1ccccc1)c1c6c(cc7c1C(CC7(CC)CC)(CC)CC)C(CC6(CC)CC)(CC)CC)(C#[O])(C#[O])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• 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: 10.2995 ± 0.0005 Å
• b: 13.3593 ± 0.0006 Å
• c: 17.9891 ± 0.0009 Å
• α: 99.1384 ± 0.0019°
• β: 105.609 ± 0.0017°
• γ: 100 ± 0.002°
• Cell volume: 2291.9 ± 0.19 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: 0.095
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4086764
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No