Information card for entry 4086760

Structure parameters

• Formula: C57 H88 N2 O2 Si W
• Calculated formula: C57 H88 N2 O2 Si W
• SMILES: [W]1234(=[SiH]c5c6c(cc7c5C(CC7(CC)CC)(CC)CC)C(CC6(CC)CC)(CC)CC)(C#[O])(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.c1n(c(c([n+]1C(C)C)C)C)C(C)C.c1ccccc1
• 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: 11.8192 ± 0.0003 Å
• b: 27.4879 ± 0.0004 Å
• c: 16.5417 ± 0.0003 Å
• α: 90°
• β: 91.2122 ± 0.0005°
• γ: 90°
• Cell volume: 5372.95 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No