Information card for entry 4319586

Structure parameters

• Formula: C10 H8 N4 O2 S2 W
• Calculated formula: C10 H8 N4 O2 S2 W
• SMILES: [W]12(Sc3[n]1cccc3)(Sc1[n]2cccc1)(N=O)N=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: 8.2604 ± 0.0003 Å
• b: 12.6162 ± 0.0005 Å
• c: 12.7995 ± 0.0005 Å
• α: 91.72 ± 0.001°
• β: 95.989 ± 0.001°
• γ: 92.242 ± 0.001°
• Cell volume: 1324.82 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No