Information card for entry 4064428

Structure parameters

• Formula: C57 H58 Mo2 O4 Si2
• Calculated formula: C57 H50 Mo2 O4 Si2
• SMILES: [Mo]1234(C([Si](c5ccccc5)c5ccccc5)=C5[Mo]6789(C#[O])(C(=O)[Si]5(c5ccccc5)c5ccccc5)[c]5([c]6([c]7([c]8([c]95C)C)C)C)C)(C#[O])(C#[O])[c]5([c]2([c]3([c]1([c]45C)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: 15.703 ± 0.004 Å
• b: 17.614 ± 0.004 Å
• c: 18.481 ± 0.005 Å
• α: 90°
• β: 92.015 ± 0.001°
• γ: 90°
• Cell volume: 5109 ± 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 significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No