Information card for entry 7114676

Structure parameters

• Formula: C35 H39 Cl O4 P2 W
• Calculated formula: C35 H39 Cl O4 P2 W
• SMILES: [W]1([P](=C(Cl)[P]1(c1ccccc1)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Preparation of carbonyltungsten(0) complexes of 2-chloro-3,3-diphenyl-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene
• Authors of publication: Ito, Shigekazu; Yoshifuji, Masaaki
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 1208
• a: 16.687 ± 0.002 Å
• b: 21.984 ± 0.003 Å
• c: 9.31 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3415.3 ± 1.3 ų
• Cell temperature: 125.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No