Information card for entry 4319585

Structure parameters

• Formula: C13 H8 N2 O3 S2 W
• Calculated formula: C13 H8 N2 O3 S2 W
• SMILES: [W]12(Sc3[n]1cccc3)(Sc1[n]2cccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and Structure of W(η2-mp)2(CO)3 (mp = Monoanion of 2-Mercaptopyridine) and Its Reactions with 2,2'-Pyridine Disulfide and/or NO To Yield W(η2-mp)4, W(η2-mp)2(NO)2, and W(η2-mp)3(NO)
• Authors of publication: Kengkaj Sukcharoenphon; Kenneth B. Capps; Khalil A. Abboud; Carl D. Hoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2402 - 2408
• a: 11.8939 ± 0.0007 Å
• b: 9.4778 ± 0.0005 Å
• c: 13.3415 ± 0.0008 Å
• α: 90°
• β: 100.391 ± 0.001°
• γ: 90°
• Cell volume: 1479.3 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0323
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No