Information card for entry 2008306

Structure parameters

• Chemical name: bis(μ-benzenethiolato-S:S)hexacarbonyl-μ-iodo-dimolybdenum(I)(Mo—Mo)
• Formula: C34 H46 I Mo2 N O6 S2
• Calculated formula: C34 H46 I Mo2 N O6 S2
• SMILES: [I-].[Mo]12([Mo]([S]1c1ccccc1)([S]2c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: A mixed tribridging dimolybdenum(I) compound, bis(μ-benzenethiolato-<i>S</i>:<i>S</i>)hexacarbonyl-μ-iodo-dimolybdenum(I)(<i>Mo</i>—<i>Mo</i>)
• Authors of publication: Pan, Guohua; Zhuang, Botao; Chen, Jiutong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 297 - 298
• a: 9.8951 ± 0.0004 Å
• b: 16.243 ± 0.0007 Å
• c: 25.0787 ± 0.001 Å
• α: 90°
• β: 90.444 ± 0.001°
• γ: 90°
• Cell volume: 4030.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.078
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes