Information card for entry 2206503

Structure parameters

• Chemical name: Nonacarbonyl-μ~3~N,N-diethyldithiocarbamato-κ^3^S:S:S'-μ-hydrido- triosmium(3 Os—Os)
• Formula: C14 H11 N O9 Os3 S2
• Calculated formula: C14 H11 N O9 Os3 S2
• SMILES: [Os]12([Os]34([Os]1([S]3C(=[S]2)N(CC)CC)(C#[O])(C#[O])(C#[O])[H]4)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Nonacarbonyl-μ~3~-<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>'-μ-hydrido-triosmium(3 <i>Os</i>—<i>Os</i>)
• Authors of publication: Garcia-Orozco, Ivan; Pastor, Cesar J.; Souto, Beatriz; Delgado, Esther; Hernández, Elisa; Alvarez-Toledano, Cecilio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1644 - m1645
• a: 15.0412 ± 0.0001 Å
• b: 12.5376 ± 0.0001 Å
• c: 23.243 ± 0.0002 Å
• α: 90°
• β: 103.191 ± 0.001°
• γ: 90°
• Cell volume: 4267.53 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes