Information card for entry 4303561

Structure parameters

• Formula: C44 H52 Mo N O10 P S4
• Calculated formula: C44 H52 Mo N O10 P S4
• SMILES: [Mo]12(SC(=C(S1)C(=O)OC)C(=O)OC)(SC(=C(S2)C(=O)OC)C(=O)OC)(=O)=O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[N+](CC)(CC)(CC)CC
• Title of publication: Dioxomolybdenum(VI) Complexes with Ene-1,2-dithiolate Ligands: Synthesis, Spectroscopy, and Oxygen Atom Transfer Reactivity
• Authors of publication: Hideki Sugimoto; Susumu Tatemoto; Koichiro Suyama; Hiroyuki Miyake; Shinobu Itoh; Chao Dong; Jing Yang; Martin L. Kirk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10581 - 10590
• a: 17.61 ± 0.002 Å
• b: 13.5961 ± 0.0014 Å
• c: 19.795 ± 0.002 Å
• α: 90°
• β: 103.658 ± 0.003°
• γ: 90°
• Cell volume: 4605.4 ± 0.8 ų
• Cell temperature: 100.1 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No