Information card for entry 4305912

Structure parameters

• Formula: C22 H44 Mo N2 S7
• Calculated formula: C22 H44 Mo N2 S7
• SMILES: [Mo]12(=S)(SSSS1)Sc1ccccc1S2.[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: 9.2286 ± 0.0019 Å
• b: 30.116 ± 0.006 Å
• c: 10.893 ± 0.002 Å
• α: 90°
• β: 100.803 ± 0.002°
• γ: 90°
• Cell volume: 2973.8 ± 1 ų
• Cell temperature: 113.1 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 significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No