Information card for entry 4305913

Structure parameters

• Formula: C38 H42 Cl2 Mo N O P S6
• Calculated formula: C38 H42 Cl2 Mo N O P S6
• SMILES: [Mo]12(Sc3c(S1)c(Cl)ccc3Cl)(SSSS2)=O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[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: 16.427 ± 0.002 Å
• b: 14.0703 ± 0.0018 Å
• c: 17.529 ± 0.002 Å
• α: 90°
• β: 95.436 ± 0.003°
• γ: 90°
• Cell volume: 4033.3 ± 0.8 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No