Information card for entry 7009879

Structure parameters

• Formula: C21 H24 Mo2 O6 S
• Calculated formula: C21 H24 Mo2 O6 S
• SMILES: [Mo]1234567([Mo]89%10%11%12([S]1C(C)C)([O]=C(OC)[CH]7=[C]6%12C(=O)OC)(C#[O])[cH]1[cH]8[cH]9[cH]%10[cH]%111)(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Reactions of [Mo2(μ-RC2R)(CO)4Cp2] (R = CO2Me, Cp = η-C5H5) with P2Ph4, PPh2H and R1SH (R1 = Et, Pri, C6H4Me-p or But): stabilisation of μ-vinyl complexes by chelating substituents
• Authors of publication: Adams, Harry; Biebricher, Andreas; Gay, Sally R.; Hamilton, Trevor; McHugh, Paul E.; Morris, Michael J.; Mays, Martin J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 2983
• a: 9.971 ± 0.0006 Å
• b: 15.3616 ± 0.0009 Å
• c: 14.0659 ± 0.0009 Å
• α: 90°
• β: 92.476 ± 0.001°
• γ: 90°
• Cell volume: 2152.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.658
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No