Information card for entry 4113492

Structure parameters

• Formula: C32 H54 Mo N4 S2 Si4
• Calculated formula: C32 H54 Mo N4 S2 Si4
• SMILES: [Mo]1(Sc2c([Si](C)(C)C)cccc2[Si](C)(C)C)(Sc2c([Si](C)(C)C)cccc2[Si](C)(C)C)([N]#[C]1C)([N]#CC)[N]#CC.N#CC
• 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: 11.496 ± 0.008 Å
• b: 15.287 ± 0.009 Å
• c: 13.237 ± 0.009 Å
• α: 90°
• β: 114.96 ± 0.01°
• γ: 90°
• Cell volume: 2109 ± 2 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No