Information card for entry 2007799

Structure parameters

• Formula: C38 H52 Mo2 N O8 S2
• Calculated formula: C38 H51 Mo2 N O8 S2
• SMILES: [Mo]12([S]([Mo]([S]1c1ccccc1)(O=C(C(C)=C)O2)(C#[O])(C#[O])C#[O])c1ccccc1)(C#[O])(C#[O])C#[O].[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: A New Dinuclear Molybdenum Compound, (Bu~4~ N)[Mo~2~(CO)~6~(SPh)~2~(CH~2~CCH~3~COO)]
• Authors of publication: Pan, Guohua; Zhuang, Botao; Chen, Jiutong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1580 - 1582
• a: 15.1675 ± 0.0004 Å
• b: 11.964 ± 0.0003 Å
• c: 24.1413 ± 0.0004 Å
• α: 90°
• β: 103.156 ± 0.001°
• γ: 90°
• Cell volume: 4265.8 ± 0.17 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: 0.078
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.086
• Goodness-of-fit parameter for all reflections: 1.09
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No