Information card for entry 4113491

Structure parameters

• Formula: C24 H42 Mo S2 Si4
• Calculated formula: C24 H42 Mo S2 Si4
• SMILES: [Mo]123456789%10%11(S[c]%121[c]2([Si](C)(C)C)[cH]3[cH]4[cH]5[c]6%12[Si](C)(C)C)[C]1(=S)[C]7([Si](C)(C)C)=[CH]8C9[CH]%10=[C]%111[Si](C)(C)C
• Title of publication: Unusual Coordination Modes of Arylthiolates in Mo{η5-SC6H3-2,6-(SiMe3)2}{η7-SC6H3-2,6-(SiMe3)2}
• Authors of publication: Takashi Komuro; Tsukasa Matsuo; Hiroyuki Kawaguchi; Kazuyuki Tatsumi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 2070 - 2071
• a: 11.96 ± 0.005 Å
• b: 19.135 ± 0.008 Å
• c: 13.097 ± 0.005 Å
• α: 90°
• β: 99.847 ± 0.005°
• γ: 90°
• Cell volume: 2953 ± 2 ų
• Cell temperature: 173.2 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: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No