Information card for entry 2009284

Structure parameters

• Formula: C52 H98 Mo2 N2 O8 S2
• Calculated formula: C52 H98 Mo2 N2 O8 S2
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[S]1([Mo](C#[O])(C#[O])(C#[O])(C#[O])[S]([Mo]1(C#[O])(C#[O])(C#[O])C#[O])CCCCCC)CCCCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: A long-chain alkyl-tethered Mo~2~S~2~ core, [Bu~4~N]~2~[Mo~2~(CO)~8~(<i>n</i>-C~6~H~13~ S)~2~]
• Authors of publication: Wei, Qiang; Zhuang, Botao; Chen, Jiutong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2047 - 2049
• a: 12.4702 ± 0.0002 Å
• b: 15.8641 ± 0.0003 Å
• c: 16.9102 ± 0.0003 Å
• α: 90°
• β: 109.033 ± 0.001°
• γ: 90°
• Cell volume: 3162.43 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections: 1.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No