Information card for entry 4113493

Structure parameters

• Formula: C45 H51 Mo S3 Si3
• Calculated formula: C45 H51 Mo S3 Si3
• SMILES: [Mo]123456(Sc7c([Si](C)(C)C)cccc7[c]71[cH]2[cH]3[cH]4[cH]5[cH]67)(Sc1c([Si](C)(C)C)cccc1c1ccccc1)Sc1c([Si](C)(C)C)cccc1c1ccccc1
• 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: 12.395 ± 0.005 Å
• b: 17.433 ± 0.006 Å
• c: 20.061 ± 0.008 Å
• α: 90°
• β: 90.849 ± 0.005°
• γ: 90°
• Cell volume: 4334 ± 3 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: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No