Information card for entry 4064427

Structure parameters

• Formula: C57 H58 O4 Si2 W2
• Calculated formula: C57 H50 O4 Si2 W2
• SMILES: [W]12345(C#[O])([Si](C1=C1[W]6789(C#[O])([Si]1(c1ccccc1)c1ccccc1)(C#[O])[c]1([c]8([c]9([c]6([c]71C)C)C)C)C)(c1ccccc1)c1ccccc1)(C#[O])[c]1([c]3([c]4([c]5([c]21C)C)C)C)C.c1(ccccc1)C
• Title of publication: Synthesis, Structure, and Bonding Nature of Ethynediyl-Bridged Bis(silylene) Dinuclear Complexes of Tungsten and Molybdenum
• Authors of publication: Sakaba, Hiroyuki; Oike, Hiroyuki; Kawai, Masaaki; Takami, Masato; Kabuto, Chizuko; Ray, Mausumi; Nakao, Yoshihide; Sato, Hirofumi; Sakaki, Shigeyoshi
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4515
• a: 15.754 ± 0.004 Å
• b: 17.657 ± 0.005 Å
• c: 18.402 ± 0.004 Å
• α: 90°
• β: 91.871 ± 0.001°
• γ: 90°
• Cell volume: 5116 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0503
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No