Information card for entry 4305916

Structure parameters

• Formula: C28 H44 Cl4 Mo2 N2 S8
• Calculated formula: C28 H44 Cl4 Mo2 N2 S8
• SMILES: [Mo]12(S[Mo]3(S2)(=S)Sc2c(Cl)ccc(Cl)c2S3)(Sc2c(Cl)ccc(Cl)c2S1)=S.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: A New Class of Sulfido/Oxo(dithiolene)-Molybdenum(IV) Complexes Derived from Sulfido/Oxo-Bis(tetrasulfido)molybdenum(IV) Anions
• Authors of publication: Hideki Sugimoto; Koichiro Suyama; Kunihisa Sugimoto; Hiroyuki Miyake; Isao Takahashi; Shun Hirota; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10150 - 10157
• a: 17.118 ± 0.003 Å
• b: 13.014 ± 0.003 Å
• c: 18.085 ± 0.004 Å
• α: 90°
• β: 92.013 ± 0.004°
• γ: 90°
• Cell volume: 4026.4 ± 1.5 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No